data_1wry_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 1wry _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.5 0.191 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.494 ' CG1' ' OE2' ' A' ' 42' ' ' GLU . 1.4 t -90.44 137.37 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.1 mm -102.25 105.39 17.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -101.6 129.24 47.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -117.03 137.65 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.528 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 22.5 m-85 -105.25 96.99 6.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' ILE . 2.1 pt -104.88 176.88 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -124.17 69.62 1.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' ALA . 13.1 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.63 -56.29 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mt -51.3 -63.62 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -40.91 -51.35 3.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' ASP . 1.3 mptt -59.47 -63.42 1.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -40.26 -57.38 1.74 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -52.96 -47.85 67.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -66.18 -19.51 65.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 25' ' ' LYS . 7.8 t0 -78.7 -33.93 46.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.6 t -81.27 -35.58 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.23 -56.19 5.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.98 -42.48 22.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.542 ' CE2' HG12 ' A' ' 98' ' ' VAL . 51.0 t80 -60.27 -53.28 59.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 0.763 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 78.3 mt -61.71 -25.72 67.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -80.37 -42.82 22.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.94 -31.2 67.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -86.96 1.85 51.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 mmtm 50.95 46.78 25.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.448 ' CD1' HD23 ' A' ' 34' ' ' LEU . 66.7 mt -90.2 150.9 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -89.18 83.1 1.44 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 37.0 p90 -114.69 175.68 5.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.494 ' OE2' ' CG1' ' A' ' 9' ' ' VAL . 1.6 mt-10 -131.28 139.14 49.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -93.32 112.41 24.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 14' ' ' ILE . 12.7 mmmt -113.1 120.03 39.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 47' ' ' ALA . 55.0 t0 -91.04 137.29 32.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' ILE . 18.1 pt -106.27 -26.64 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.429 ' N ' ' OD1' ' A' ' 45' ' ' ASP . . . -52.33 -62.52 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.21 -74.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.66 119.4 6.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.21 -53.81 5.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 10.2 pt-20 -39.87 -47.31 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.474 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 10.8 m-20 -55.47 -53.49 55.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.426 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 40.7 ttt180 -61.25 -53.96 50.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -55.86 -65.88 0.52 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.6 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 89.0 t90 -44.17 -58.77 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 107.98 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.546 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 4.7 ttp -48.09 -46.47 33.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.603 ' NH2' ' CD2' ' A' ' 70' ' ' TYR . 14.3 mtt180 -59.07 -39.96 83.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.71 -15.29 61.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.6 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.6 m-80 -91.5 -49.87 6.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.478 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 25.0 t -41.07 133.43 1.86 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.31 39.47 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 111.035 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -62.47 -42.53 99.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.2 -15.14 31.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.8 m -105.9 -25.22 12.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.965 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.432 ' NH1' ' O ' ' A' ' 57' ' ' ARG . 39.7 mtp85 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.603 ' CD2' ' NH2' ' A' ' 57' ' ' ARG . 87.4 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.553 0.216 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.478 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.01 128.13 11.23 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.2 mt -81.93 152.0 68.1 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.354 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.501 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -74.95 168.26 25.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.501 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.1 Cg_endo -75.07 167.25 81.01 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.953 0.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -138.37 111.34 7.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.419 HG23 ' N ' ' A' ' 77' ' ' PHE . 2.7 mp -85.52 138.11 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.546 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 12.6 m-85 -144.93 128.7 17.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 80' ' ' SER . 22.7 t-20 -83.86 96.45 8.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 65.73 -59.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 78' ' ' ASN . 3.7 t -145.81 -39.81 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.13 161.3 22.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.521 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 6.0 t80 -98.07 145.97 26.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 111.058 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -115.52 -55.76 2.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.521 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 170.75 179.0 41.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.145 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 88' ' ' ALA . 25.6 p-10 -108.63 176.94 4.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.421 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.0 OUTLIER -37.88 -36.08 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 110.945 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -63.23 -55.0 28.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.559 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . . . -64.33 -28.61 69.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -68.02 -51.98 40.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -60.61 -47.5 85.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -55.46 -50.7 69.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.23 -25.57 67.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.416 ' N ' HG22 ' A' ' 98' ' ' VAL . 25.6 ttp85 -73.14 -55.89 5.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.452 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 1.6 mm-40 -53.71 -35.3 61.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.143 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -84.71 7.72 19.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.8 m120 45.54 48.16 11.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -139.37 31.04 2.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.542 HG12 ' CE2' ' A' ' 33' ' ' PHE . 1.4 t -60.13 -55.44 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -46.09 -40.35 10.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.54 -36.55 78.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 88' ' ' ALA . 28.0 t80 -73.98 -10.02 59.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 31.3 mt -112.64 2.32 16.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 67.77 18.2 70.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.163 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 23.7 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.287 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 103' ' ' GLY . 73.6 mtp . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.48 0.181 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.1 t -75.71 141.29 16.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 42' ' ' GLU . 10.5 mm -105.28 105.56 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -101.43 123.61 45.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 t -107.91 128.49 63.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 19.6 m-85 -97.76 97.35 8.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 46' ' ' ILE . 2.7 pt -105.26 -178.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -126.82 65.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 15' ' ' ALA . 29.9 t . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.0 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.11 -53.06 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.1 mt -57.08 -63.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -40.0 -56.69 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -54.81 -60.93 2.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -43.8 -57.49 3.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.406 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 29.4 mt-30 -52.6 -46.51 67.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.26 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -70.11 -15.7 63.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 110.25 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 25' ' ' LYS . 5.0 t0 -82.28 -35.51 27.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.457 HG21 ' CD2' ' A' ' 89' ' ' PHE . 41.8 t -81.12 -34.34 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.0 mt -76.75 -55.41 5.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.237 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.27 -37.7 18.21 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.499 ' CD1' ' ND2' ' A' ' 37' ' ' ASN . 60.7 t80 -64.69 -53.65 44.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 0.755 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.536 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 26.7 mt -62.31 -17.0 57.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -88.66 -39.17 14.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.86 -28.43 55.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.499 ' ND2' ' CD1' ' A' ' 33' ' ' PHE . 26.3 m-80 -89.9 8.56 31.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm 44.99 47.59 9.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.468 ' CD1' HD21 ' A' ' 34' ' ' LEU . 67.1 mt -90.62 154.51 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.71 78.92 1.15 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.536 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 35.4 p90 -111.02 175.97 5.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 0.782 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.1 mm-40 -130.73 150.62 51.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -104.62 112.79 26.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 14' ' ' ILE . 13.0 mmmt -115.03 110.81 20.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -88.35 131.3 34.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' ILE . 16.5 pt -97.44 -27.24 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.94 -60.83 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.15 57.05 1.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 169.43 93.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -70.42 -52.56 21.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.279 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 12.9 pt-20 -37.12 -47.38 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.316 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.468 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 7.0 m-20 -61.89 -50.47 72.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.464 ' NE ' HH21 ' A' ' 57' ' ' ARG . 23.9 ttt180 -62.48 -54.03 46.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 1.3 ttmm -50.53 -64.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.424 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 77.0 t90 -48.08 -62.03 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 107.983 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.565 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 6.7 ttp -45.53 -49.65 13.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.539 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 47.8 mtt180 -52.22 -42.4 63.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.73 -22.95 62.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 4.2 m-80 -83.22 -49.02 9.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.501 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 7.0 t -40.6 134.76 1.59 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.498 ' HD3' ' CG ' ' A' ' 82' ' ' TYR . 18.2 Cg_endo -74.98 153.97 42.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -65.67 -21.65 66.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.38 -7.73 59.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.1 t -109.18 -27.34 9.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.979 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.28 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.539 ' CD1' ' HD3' ' A' ' 57' ' ' ARG . 58.1 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.481 0.181 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.501 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.01 139.01 23.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.7 mt -88.82 149.56 43.95 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.508 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.03 168.43 24.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.508 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.02 164.73 87.73 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.963 -2.515 . . . . 0.0 111.023 0.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -134.42 110.44 9.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.421 HG21 ' N ' ' A' ' 77' ' ' PHE . 2.7 mp -82.96 139.02 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.545 ' CE2' ' HB2' ' A' ' 82' ' ' TYR . 11.1 m-85 -146.88 129.04 15.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.516 ' O ' ' N ' ' A' ' 80' ' ' SER . 24.7 t-20 -83.52 96.82 8.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 65.92 -62.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -143.51 -38.3 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 109.985 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.2 162.9 26.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.545 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 3.3 t80 -100.94 141.86 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -111.72 -55.12 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.506 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 176.92 -176.96 48.23 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -112.99 179.65 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -39.9 -37.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.976 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.83 -58.76 6.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.571 ' HB2' ' CE1' ' A' ' 101' ' ' PHE . . . -60.69 -31.57 70.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.457 ' CD2' HG21 ' A' ' 30' ' ' VAL . 21.1 t80 -64.73 -52.84 54.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.424 ' CE2' ' CD ' ' A' ' 94' ' ' GLU . 43.1 t80 -61.09 -49.38 77.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -54.06 -54.57 37.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.19 -22.64 30.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -81.6 -49.07 10.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.334 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.424 ' CD ' ' CE2' ' A' ' 90' ' ' PHE . 5.6 mt-10 -57.15 -36.97 71.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -86.16 9.88 16.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.9 m120 44.99 62.04 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -153.7 25.46 0.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 101' ' ' PHE . 1.5 t -53.69 -58.64 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -42.28 -41.75 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.99 90.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 22.2 t80 -68.57 -10.51 56.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 27.2 mt -112.69 -5.18 13.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.4 ' O ' ' SD ' ' A' ' 8' ' ' MET . . . 73.82 15.06 79.65 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.4 mt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 109.329 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.446 ' CE ' ' HA3' ' A' ' 103' ' ' GLY . 37.8 mtp . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.507 0.194 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.447 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 1.3 t -75.04 151.18 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 42' ' ' GLU . 17.1 mm -118.45 104.28 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 77' ' ' PHE . 42.4 mtt180 -101.1 125.74 47.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.261 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.9 t -107.32 130.11 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 22.2 m-85 -99.9 95.36 6.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.0 pt -105.06 164.96 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -113.88 65.54 0.66 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 15' ' ' ALA . 30.3 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.046 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.03 -57.74 10.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.415 HG22 ' NE2' ' A' ' 27' ' ' GLN . 3.9 mt -55.98 -60.05 2.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' ILE . 7.8 mtpt -39.95 -55.36 2.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.113 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -59.22 -64.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -40.59 -57.87 1.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.415 ' NE2' HG22 ' A' ' 23' ' ' ILE . 30.9 mt-30 -51.58 -57.71 8.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -57.63 -21.31 38.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 25' ' ' LYS . 5.0 t70 -78.33 -33.66 49.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.476 HG23 ' CD2' ' A' ' 89' ' ' PHE . 77.5 t -82.0 -31.83 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.7 mt -79.24 -54.25 6.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.235 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.52 -37.44 19.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.445 ' CZ ' HG12 ' A' ' 98' ' ' VAL . 59.8 t80 -64.42 -53.0 55.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 0.74 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.559 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 28.7 mt -63.26 -18.78 63.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -85.22 -44.73 12.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.64 -32.49 71.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -87.3 5.1 40.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 45.27 48.07 10.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.5 mt -86.52 151.48 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.75 70.56 3.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.549 1.155 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 28.4 p90 -106.61 176.19 5.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 10' ' ' ILE . 2.7 mm-40 -133.64 151.21 51.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -106.32 118.42 36.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.352 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -116.26 105.23 12.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -80.61 123.11 27.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.423 ' HB ' ' CG ' ' A' ' 53' ' ' ARG . 22.5 pt -93.7 -11.95 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.09 50.32 1.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -175.12 -67.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -93.83 90.81 6.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -50.72 -45.26 58.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' GLU . 11.2 pt-20 -36.35 -41.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -68.91 -55.67 10.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.423 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 31.3 ttt180 -56.64 -46.04 81.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -58.85 -67.68 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.584 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 89.0 t90 -45.48 -53.76 8.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 108.011 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.569 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 5.8 ttp -54.87 -40.42 69.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -64.58 -32.74 74.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -83.12 -20.47 34.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.584 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.0 OUTLIER -81.41 -55.65 4.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.454 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 76.4 t -44.31 128.63 4.67 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 154.27 42.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.489 1.783 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -64.57 -38.09 89.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -65.91 -11.46 47.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 32.7 m -110.45 -19.11 13.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.481 0.181 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.454 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.4 Cg_endo -75.02 122.79 7.41 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.557 1.82 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.8 mt -82.3 150.24 63.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.487 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.1 Cg_endo -75.01 167.26 27.42 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.488 1.783 . . . . 0.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.487 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.5 Cg_endo -74.97 166.77 82.37 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.004 -2.498 . . . . 0.0 111.005 -0.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 -138.23 110.77 7.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 89' ' ' PHE . 2.7 mp -76.48 127.19 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.414 ' CZ ' ' HD2' ' A' ' 82' ' ' TYR . 1.8 m-85 -141.98 130.73 22.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' SER . 18.6 t-20 -102.59 98.35 8.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 62.82 -76.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.27 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -141.4 12.95 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.982 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 82' ' ' TYR . 4.1 tt0 -112.12 142.56 44.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.453 ' N ' ' HG3' ' A' ' 81' ' ' GLN . 9.9 t80 -95.82 115.22 27.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.669 HH21 ' N ' ' A' ' 103' ' ' GLY . 11.5 mmm180 -86.98 -53.1 5.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.427 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 169.43 -162.6 36.19 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.122 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -121.5 -171.43 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -44.93 -37.22 3.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.14 -55.24 34.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.572 ' HB1' ' CZ ' ' A' ' 101' ' ' PHE . . . -62.65 -34.02 76.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.257 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.476 ' CD2' HG23 ' A' ' 30' ' ' VAL . 10.7 t80 -63.33 -37.53 87.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -77.27 -50.77 12.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -53.32 -56.11 19.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.66 -25.66 28.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 42.9 ttp85 -78.85 -44.36 23.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.58 -38.43 81.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -84.54 7.88 18.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 49.3 53.89 11.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -147.84 37.78 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.445 HG12 ' CZ ' ' A' ' 33' ' ' PHE . 1.4 t -65.07 -60.01 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -42.79 -45.02 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.52 -41.99 96.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.572 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 10.9 t80 -67.32 -11.9 58.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.5 mt -112.7 1.89 15.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.669 ' N ' HH21 ' A' ' 83' ' ' ARG . . . 66.74 21.71 71.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 17.9 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.32 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ptt? . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.511 0.196 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 t -86.48 137.33 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 42' ' ' GLU . 7.7 mm -100.85 105.13 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -101.3 127.97 47.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -113.7 130.84 67.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.405 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 29.0 m-85 -99.1 97.71 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.1 pt -105.23 168.11 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -115.6 63.65 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' ALA . 37.2 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.1 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.41 -53.53 5.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.7 mt -53.72 -58.53 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 23' ' ' ILE . 41.3 mtmt -40.36 -54.99 2.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -57.6 -62.74 1.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HG2' ' CE2' ' A' ' 86' ' ' TYR . 24.4 mttt -40.59 -59.11 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -51.15 -49.06 61.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -63.61 -27.79 69.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 25' ' ' LYS . 17.1 t0 -70.96 -30.34 66.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.7 t -81.54 -30.76 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.1 mt -79.18 -54.24 6.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.54 -42.63 35.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.483 ' CZ ' HG13 ' A' ' 98' ' ' VAL . 38.8 t80 -61.05 -54.84 39.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 0.771 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.567 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 43.1 mt -60.09 -25.4 65.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -79.73 -41.4 26.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.297 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.46 -25.97 60.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -91.73 4.38 52.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt 48.09 48.33 18.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.47 ' CD1' HD23 ' A' ' 34' ' ' LEU . 74.7 mt -92.86 146.94 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.64 74.47 2.35 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 47.9 p90 -103.73 175.95 5.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.6 mm-40 -130.56 150.4 51.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -105.11 111.22 23.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -112.26 118.83 36.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.67 132.43 35.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 14' ' ' ILE . 17.1 pt -104.68 -21.63 5.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.5 -57.95 8.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.73 -86.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -43.63 114.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -54.71 5.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 9.8 pt-20 -39.45 -47.49 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.257 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.476 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 9.8 m-20 -58.17 -50.39 73.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.44 ' CB ' ' HB ' ' A' ' 46' ' ' ILE . 12.5 ttt180 -63.54 -53.3 54.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 110.348 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 55' ' ' TRP . 1.7 ttmm -56.51 -64.85 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.607 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 92.2 t90 -41.93 -61.57 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 107.987 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.46 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 2.2 ttp -43.69 -48.27 7.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.562 ' NE ' ' CG ' ' A' ' 70' ' ' TYR . 0.7 OUTLIER -59.0 -39.28 81.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.31 -13.32 60.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.607 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 2.1 m-80 -94.79 -51.58 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.489 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 16.3 t -40.22 132.22 1.6 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.421 ' HD3' ' CG ' ' A' ' 82' ' ' TYR . 18.5 Cg_endo -74.89 154.39 43.04 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -59.88 -45.11 93.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -58.12 -17.02 15.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.6 t -98.9 -30.26 12.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.562 ' CG ' ' NE ' ' A' ' 57' ' ' ARG . 81.5 m-85 . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.505 0.193 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.489 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.97 129.53 12.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.5 mt -83.41 151.1 61.74 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.505 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.03 168.4 24.89 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.505 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.1 Cg_endo -75.0 170.24 72.38 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.942 0.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -139.96 112.15 7.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.424 HG21 ' N ' ' A' ' 77' ' ' PHE . 3.0 mp -82.35 139.05 18.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.553 ' CE1' ' HB2' ' A' ' 82' ' ' TYR . 11.4 m-85 -146.83 128.8 15.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' A' ' 80' ' ' SER . 23.2 t-20 -86.08 96.35 9.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 66.5 -59.79 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -145.78 -37.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.99 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 160.97 29.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.553 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 1.9 t80 -100.85 141.01 34.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -108.86 -59.91 1.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.461 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . -178.49 -176.13 46.15 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -110.33 -176.82 3.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.455 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 3.2 t80 -45.11 -36.94 3.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -61.47 -51.93 66.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.565 ' HB1' ' CZ ' ' A' ' 101' ' ' PHE . . . -65.12 -32.21 73.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -65.57 -41.1 93.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -70.58 -46.68 63.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -58.87 -52.41 65.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.14 -23.74 56.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -75.01 -54.01 7.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -54.08 -36.76 63.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -83.02 5.59 21.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 47.71 38.79 9.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -128.57 29.55 5.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.483 HG13 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -56.82 -58.14 6.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -42.56 -42.35 3.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.71 93.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.565 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 18.8 t80 -70.45 -9.48 56.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.411 ' CD1' HG12 ' A' ' 98' ' ' VAL . 22.6 mt -113.62 1.59 14.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 65.3 27.4 72.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.0 mt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.283 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.3 mtm . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.491 0.186 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 t -80.53 136.55 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 42' ' ' GLU . 7.6 mm -101.93 104.97 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.2 mtt-85 -101.09 123.69 45.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -107.12 129.84 60.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 16.2 m-85 -98.07 97.67 9.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.0 pt -105.18 173.55 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.53 64.69 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.5 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.939 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.2 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.4 -54.32 6.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.8 mt -59.91 -59.75 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ILE . 43.6 mtmt -40.17 -54.3 2.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.03 -63.23 1.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.546 ' HG2' ' CE2' ' A' ' 86' ' ' TYR . 22.2 mttt -40.79 -58.41 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -50.6 -45.04 57.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -66.8 -35.94 81.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -63.44 -29.28 70.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.8 t -81.46 -36.96 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.6 mt -73.82 -54.66 7.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.03 -42.46 23.31 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.423 ' CE2' HG13 ' A' ' 98' ' ' VAL . 56.4 t80 -62.01 -56.19 21.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.777 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.567 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 46.0 mt -59.51 -23.35 62.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -82.38 -44.47 16.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.16 -30.23 69.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -89.28 1.73 55.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 mttp 49.57 54.8 10.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.461 ' CD1' HD21 ' A' ' 34' ' ' LEU . 48.3 mt -96.16 148.62 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.29 71.77 2.77 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 49.9 p90 -102.39 176.32 5.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 0.788 . . . . 0.0 111.048 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.3 mm-40 -131.11 151.02 51.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -105.08 111.82 24.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -112.84 118.6 35.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -90.46 137.83 32.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 14' ' ' ILE . 17.3 pt -110.56 -17.61 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.41 -54.77 23.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.72 -73.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.94 126.13 28.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -49.36 7.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 52' ' ' ASN . 16.1 pt-20 -38.39 -50.38 1.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 110.349 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.424 ' O ' ' CB ' ' A' ' 56' ' ' MET . 9.7 m-20 -53.02 -53.69 46.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -60.58 -55.53 32.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -53.4 -65.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.427 ' CZ3' ' OH ' ' A' ' 13' ' ' TYR . 83.1 t90 -45.81 -60.48 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.569 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 5.7 ttp -45.16 -48.73 12.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.559 ' NE ' ' CD1' ' A' ' 70' ' ' TYR . 11.9 mtp180 -56.82 -41.77 78.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -69.94 -19.16 63.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 2.7 m-80 -88.88 -47.41 8.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.477 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 37.9 t -43.89 132.45 4.1 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 151.66 39.94 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.461 1.769 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -64.42 -33.91 76.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -71.28 -7.8 49.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.1 m -112.6 -20.37 11.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.559 ' CD1' ' NE ' ' A' ' 57' ' ' ARG . 27.7 m-85 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.498 0.19 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.477 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.99 131.22 14.06 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.799 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.5 mt -87.33 151.42 51.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.499 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.1 Cg_endo -75.04 167.93 25.92 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.45 1.763 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.499 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.02 155.78 99.94 Favored 'Cis proline' 0 C--N 1.361 1.196 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.006 0.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -125.93 110.32 13.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.371 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 77' ' ' PHE . 2.6 mp -83.62 138.86 18.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 56' ' ' MET . 11.3 m-85 -145.39 129.47 17.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.521 ' O ' ' N ' ' A' ' 80' ' ' SER . 20.2 t-20 -84.93 96.83 9.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 65.93 -61.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -145.18 -38.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.05 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.47 163.23 21.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.497 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 14.6 t80 -97.51 149.11 22.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -119.04 -55.68 2.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.497 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 171.01 -174.14 44.74 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.2 p-10 -113.56 177.69 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.275 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.546 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -40.21 -35.46 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 111.056 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.94 -54.34 46.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.574 ' HB2' ' CE1' ' A' ' 101' ' ' PHE . . . -64.37 -34.23 77.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -61.85 -50.78 70.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -60.85 -49.47 77.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -56.27 -54.51 44.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.252 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.29 -23.83 25.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.43 ' N ' HG23 ' A' ' 98' ' ' VAL . 15.4 ttp180 -77.49 -54.4 6.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.75 -37.75 63.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -85.84 9.95 15.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 42.42 57.55 3.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -143.87 17.8 1.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -48.06 -58.65 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -40.98 -45.5 2.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.88 95.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 17.0 t80 -67.38 -9.33 40.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.464 ' CD1' HG12 ' A' ' 98' ' ' VAL . 27.2 mt -113.19 -1.45 14.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.85 21.2 76.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.7 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.6 ptt? . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.488 0.185 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.1 t -85.07 140.45 15.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' GLU . 10.2 mm -105.2 104.92 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 77' ' ' PHE . 34.2 mtt180 -101.22 129.68 47.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.6 t -116.31 133.3 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 7.5 m-85 -103.2 98.64 8.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.0 pt -105.12 169.97 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.13 65.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.995 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.14 -57.25 4.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.0 mt -51.32 -59.88 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -43.26 -44.41 5.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -67.98 -62.37 1.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -40.75 -59.08 1.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -49.01 -46.92 44.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.326 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -65.24 -30.03 70.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -68.85 -30.7 69.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.0 t -81.68 -38.22 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.2 mt -71.54 -56.65 5.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -46.11 -43.78 13.71 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.522 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 33.6 t80 -61.06 -56.54 19.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 0.795 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.564 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 64.5 mt -58.79 -21.58 56.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -83.43 -41.84 17.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.45 -26.9 62.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -91.94 9.25 33.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm 43.28 50.15 5.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.464 ' CD1' HD22 ' A' ' 34' ' ' LEU . 71.7 mt -93.07 145.26 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.01 77.4 2.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.451 1.095 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 51.1 p90 -107.22 176.17 5.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.9 OUTLIER -129.8 149.97 51.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -106.57 114.91 29.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 14' ' ' ILE . 11.8 mmmt -114.78 115.38 26.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -87.07 133.39 33.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 14' ' ' ILE . 20.0 pt -107.65 -14.35 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.88 -44.18 93.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.61 -72.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -56.4 122.98 13.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.03 -56.88 3.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.477 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 9.4 pt-20 -38.88 -47.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.477 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 9.0 m-20 -54.06 -60.18 3.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.475 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 38.5 ttt180 -55.44 -57.45 11.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 1.3 ttmm -49.88 -68.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.588 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 89.7 t90 -43.75 -55.52 4.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 108.033 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.595 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 3.8 ttp -48.07 -46.41 33.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.428 ' NE ' ' CD1' ' A' ' 70' ' ' TYR . 9.6 mtt180 -60.46 -42.33 95.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.12 -17.02 63.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.588 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.6 m-80 -90.83 -53.11 4.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.454 HG23 ' CG ' ' A' ' 71' ' ' PRO . 25.2 t -40.56 129.63 1.8 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.39 36.61 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.47 -20.34 66.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -81.56 -9.78 59.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 m -111.35 -23.88 10.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.271 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.428 ' CD1' ' NE ' ' A' ' 57' ' ' ARG . 79.2 m-85 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.504 0.192 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.454 ' CG ' HG23 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.98 115.26 4.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.469 1.773 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.8 mt -74.94 149.22 85.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.501 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.03 168.04 25.7 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.559 1.821 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.501 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -74.99 170.63 71.33 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.986 0.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.497 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 56.4 mm-40 -143.09 111.35 6.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 110.29 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.2 mp -82.97 135.16 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.595 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 55.8 m-85 -141.83 128.96 20.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 80' ' ' SER . 34.1 t-20 -86.44 97.38 10.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 66.39 -66.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -141.02 -36.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.996 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.53 171.23 6.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.508 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 6.7 t80 -108.64 145.31 35.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -113.26 -59.05 2.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.508 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 175.27 176.54 43.62 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -102.39 179.65 4.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.438 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.1 t80 -41.82 -37.47 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -58.17 8.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.567 ' HB2' ' CE1' ' A' ' 101' ' ' PHE . . . -60.61 -29.63 69.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.544 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 6.8 t80 -68.94 -34.91 76.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 90' ' ' PHE . 3.3 t80 -76.28 -48.37 20.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.432 ' HA ' ' CG ' ' A' ' 94' ' ' GLU . 17.0 tt0 -56.0 -33.62 65.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . -79.25 -17.63 54.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -86.53 -51.42 6.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.432 ' CG ' ' HA ' ' A' ' 91' ' ' GLU . 0.3 OUTLIER -55.61 -34.78 65.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.357 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -88.48 9.29 24.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.339 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 47.22 53.31 10.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -142.25 24.74 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.522 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -53.1 -59.19 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -40.7 -45.19 2.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.87 -44.56 95.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 23.8 t80 -66.45 -8.51 26.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.455 ' CD1' HG13 ' A' ' 98' ' ' VAL . 19.4 mt -114.92 -0.83 13.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.54 18.99 74.25 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.8 mt . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.477 0.751 . . . . 0.0 109.274 -179.941 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' A' ' 103' ' ' GLY . 90.3 mtp . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.532 0.206 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.435 ' CG1' ' OE2' ' A' ' 42' ' ' GLU . 0.9 OUTLIER -76.41 142.79 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 42' ' ' GLU . 9.4 mm -104.66 108.32 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.451 ' NH2' ' OH ' ' A' ' 13' ' ' TYR . 26.9 mtp180 -100.58 126.7 47.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.7 t -113.49 126.71 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 4.0 m-85 -100.64 98.07 8.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' LYS . 2.4 pt -105.29 179.65 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -126.66 67.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 15' ' ' ALA . 13.3 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.33 -57.56 2.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mt -55.14 -63.78 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -40.25 -50.52 2.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -60.57 -65.5 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HD3' ' CD1' ' A' ' 86' ' ' TYR . 31.4 mttt -40.39 -56.78 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -51.43 -52.45 46.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -63.67 -22.69 67.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 25' ' ' LYS . 1.6 t70 -76.66 -32.84 58.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.451 HG23 ' CD2' ' A' ' 89' ' ' PHE . 79.4 t -81.04 -31.24 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 78.8 mt -79.42 -54.37 5.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.64 -37.42 13.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.509 ' CE2' HG12 ' A' ' 98' ' ' VAL . 68.8 t80 -64.44 -58.24 6.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.535 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 22.7 mt -57.29 -19.15 20.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -86.06 -48.46 8.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.97 -30.71 70.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -88.11 2.87 51.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.588 1.18 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm 50.2 42.22 25.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.7 mt -83.88 152.99 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.05 81.92 1.29 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.535 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 31.0 p90 -115.75 175.66 5.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.2 mt-10 -133.41 138.15 46.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -92.62 114.65 27.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 14' ' ' ILE . 5.9 mmmt -115.06 120.43 39.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -93.45 127.52 39.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.9 pt -94.1 -21.68 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.2 50.7 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -175.12 -55.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -98.67 84.52 3.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.56 -46.75 14.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 13.6 pt-20 -40.38 -47.47 2.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 56' ' ' MET . 5.5 m-20 -61.9 -59.36 5.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -52.25 -48.31 65.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.358 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 2.9 tttp -58.93 -73.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.239 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.614 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 84.9 t90 -43.5 -52.33 6.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 108.009 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.589 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 4.9 ttp -53.79 -40.31 66.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.64 ' NE ' ' CE1' ' A' ' 70' ' ' TYR . 11.0 mtp180 -66.99 -32.3 73.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.84 -13.68 57.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.614 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.0 OUTLIER -90.03 -52.8 4.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.47 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 25.1 t -39.7 132.6 1.39 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.11 37.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.511 1.795 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -66.95 -13.27 61.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 110.26 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -88.56 -9.42 52.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 m -111.22 -22.97 11.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.01 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.247 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.64 ' CE1' ' NE ' ' A' ' 57' ' ' ARG . 61.5 m-85 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.439 0.161 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.47 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.96 123.68 8.09 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.53 1.805 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.3 mt -77.08 149.94 80.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.509 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.01 168.87 23.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.794 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.509 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -74.99 172.64 62.0 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.987 -2.506 . . . . 0.0 111.01 -0.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -143.15 110.69 5.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.341 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 77' ' ' PHE . 3.3 mt -84.75 137.8 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.589 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 43.2 m-85 -143.47 128.96 19.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' A' ' 80' ' ' SER . 18.8 t-20 -84.3 96.36 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 66.06 -58.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.3 OUTLIER -148.98 -40.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.72 162.79 12.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.412 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 6.5 t80 -99.46 138.45 36.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -109.95 -62.2 1.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.35 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -179.78 -178.02 48.24 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.587 1.179 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 88' ' ' ALA . 36.2 p-10 -113.99 178.01 4.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.461 ' CD1' ' HD3' ' A' ' 26' ' ' LYS . 1.7 t80 -39.03 -36.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.33 -53.97 49.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 101' ' ' PHE . . . -64.69 -35.69 81.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.451 ' CD2' HG23 ' A' ' 30' ' ' VAL . 16.4 t80 -58.82 -47.78 83.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -64.43 -53.06 54.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -52.12 -56.62 13.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.17 -27.2 44.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.8 ttp85 -74.43 -51.51 14.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -52.01 -39.65 59.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -87.6 11.97 13.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 42.45 53.21 4.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -133.98 11.86 3.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.509 HG12 ' CE2' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -42.46 -62.96 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.426 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 14.8 m-85 -41.54 -47.57 3.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.12 95.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 88' ' ' ALA . 9.2 t80 -70.1 -12.41 61.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.99 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.437 ' CD1' HG11 ' A' ' 98' ' ' VAL . 31.0 mt -111.22 2.75 17.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.402 ' O ' ' SD ' ' A' ' 8' ' ' MET . . . 66.84 15.57 64.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 17.8 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.785 . . . . 0.0 109.323 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.0 ptt? . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.479 0.18 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -85.91 150.68 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 42' ' ' GLU . 11.7 mm -117.21 106.78 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.453 ' NH2' ' OH ' ' A' ' 13' ' ' TYR . 29.4 mtp180 -100.15 123.43 44.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.2 t -108.04 126.67 64.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.335 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 4.2 m-85 -101.01 100.41 11.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' LYS . 2.6 pt -104.8 164.25 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -109.43 62.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 15' ' ' ALA . 30.2 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.04 -57.69 2.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.416 HG21 ' NE2' ' A' ' 27' ' ' GLN . 3.7 mt -55.19 -62.35 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' ILE . 38.0 mtmt -39.11 -59.51 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -54.54 -62.59 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -42.28 -58.51 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.416 ' NE2' HG21 ' A' ' 23' ' ' ILE . 31.2 mt-30 -51.5 -45.3 62.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -68.76 -22.47 64.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 25' ' ' LYS . 2.9 t70 -76.29 -31.55 58.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.445 HG21 ' CG ' ' A' ' 74' ' ' PRO . 75.8 t -81.81 -35.55 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.9 mt -74.05 -56.41 4.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -45.94 -45.56 14.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.452 ' CZ ' HG13 ' A' ' 98' ' ' VAL . 50.7 t80 -59.51 -58.34 9.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 0.758 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.559 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 64.8 mt -55.82 -23.12 28.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -82.29 -42.25 19.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.33 -26.17 61.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -92.3 6.66 46.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm 44.26 50.23 7.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.475 ' CD1' HD22 ' A' ' 34' ' ' LEU . 97.0 mt -92.21 147.46 5.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.26 77.05 2.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 45.7 p90 -109.66 176.43 5.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.3 mm-40 -132.79 149.67 52.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.318 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -104.96 117.82 34.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 14' ' ' ILE . 4.8 mmmt -118.82 121.9 41.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -91.55 126.5 36.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.426 ' HB ' ' CG ' ' A' ' 53' ' ' ARG . 30.4 pt -97.0 -19.31 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.44 -58.26 9.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.12 -76.45 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -49.74 114.87 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.78 -53.26 6.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 52' ' ' ASN . 13.4 pt-20 -40.41 -52.16 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.42 ' ND2' ' HB3' ' A' ' 44' ' ' LYS . 14.3 m-20 -53.24 -58.98 5.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.426 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 45.4 ttt180 -55.05 -55.78 27.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 1.7 tttp -52.53 -68.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.607 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 76.0 t90 -44.17 -50.69 8.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 107.979 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.572 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 6.9 ttp -53.56 -49.75 67.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.572 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 81.5 mtm180 -60.67 -24.53 65.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -89.37 -22.3 22.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.607 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.5 m-80 -83.72 -48.17 10.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.485 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 25.3 t -40.75 133.31 1.74 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 150.0 37.8 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.53 1.805 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -66.07 -17.75 64.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -85.49 -6.76 59.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.8 m -117.86 -8.48 10.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 57' ' ' ARG . 14.6 mtt180 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 57' ' ' ARG . 30.1 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.554 0.216 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.485 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.04 135.16 18.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.4 mt -96.23 154.53 38.74 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.503 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.0 168.04 25.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.803 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.503 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -74.96 155.15 99.99 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.988 -0.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -125.28 111.63 15.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.7 mp -83.9 128.11 39.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 7.9 m-85 -136.13 129.6 32.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 80' ' ' SER . 18.3 t-20 -90.12 98.45 11.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 57.49 -84.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.233 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -122.68 -4.99 8.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -101.68 166.82 10.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.437 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 19.4 t80 -111.28 151.54 28.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -119.56 -62.65 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.437 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 176.66 -170.07 42.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -113.37 -175.96 2.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 0.751 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.414 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.0 OUTLIER -44.74 -32.82 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.76 -59.51 4.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.548 ' HB1' ' CE1' ' A' ' 101' ' ' PHE . . . -59.7 -34.05 72.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -62.09 -52.29 64.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -61.06 -48.02 83.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -58.18 -53.25 60.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.71 -23.13 27.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.409 ' N ' HG23 ' A' ' 98' ' ' VAL . 22.1 ttp180 -80.25 -45.19 18.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -61.1 -40.06 92.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -81.0 2.9 24.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 52.88 51.75 15.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -143.16 31.93 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 101' ' ' PHE . 1.0 OUTLIER -59.59 -62.18 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.281 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -40.17 -43.17 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.12 -44.97 86.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.548 ' CE1' ' HB1' ' A' ' 88' ' ' ALA . 17.9 t80 -64.48 -10.54 26.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 30.9 mt -112.48 -1.17 15.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.45 21.78 76.19 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.5 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.432 ' CE ' ' O ' ' A' ' 103' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.494 0.188 . . . . 0.0 111.018 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 t -89.86 137.98 20.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 42' ' ' GLU . 8.4 mm -103.06 104.54 16.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -100.83 125.05 47.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.4 t -108.8 135.28 48.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 21.6 m-85 -103.08 94.76 5.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.959 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 44' ' ' LYS . 1.9 pt -104.63 -177.25 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -131.92 71.95 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.165 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 15' ' ' ALA . 6.6 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 110.023 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.62 -49.26 2.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mt -54.95 -60.99 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -41.19 -48.84 3.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -63.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -40.66 -57.91 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.421 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 29.2 mt-30 -51.76 -43.93 63.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -67.17 -21.89 65.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.254 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -79.01 -33.51 44.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t -80.84 -32.36 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.2 mt -79.0 -54.59 5.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.409 1.068 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.78 -38.79 37.74 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.445 1.09 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -62.7 -55.65 24.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.573 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 23.9 mt -58.64 -22.72 57.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -81.64 -43.03 19.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.252 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.48 -28.07 63.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -90.0 2.5 55.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.257 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt 49.06 52.51 14.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.472 ' CD1' HD21 ' A' ' 34' ' ' LEU . 47.6 mt -95.62 146.73 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.55 75.07 2.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 44.5 p90 -107.95 176.35 5.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -131.24 150.65 52.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -103.29 112.4 25.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 1.135 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' ILE . 13.9 mmmt -113.39 115.0 27.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 47' ' ' ALA . 24.9 t0 -89.82 124.08 34.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.0 pt -89.98 -37.07 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.445 ' N ' ' OD1' ' A' ' 45' ' ' ASP . . . -42.86 -70.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.57 -78.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -61.05 95.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 53' ' ' ARG . 10.6 pt-20 -66.65 -53.02 38.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 15.7 pt-20 -38.34 -41.27 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -57.44 -51.22 70.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.496 ' O ' ' CG ' ' A' ' 57' ' ' ARG . 20.8 ttt180 -63.12 -38.62 91.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -65.92 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.451 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 40.0 t90 -50.08 -58.01 6.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 107.986 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.577 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 3.6 ttp -51.07 -51.52 52.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.647 ' CZ ' ' CG ' ' A' ' 70' ' ' TYR . 36.4 mtt180 -47.99 -35.75 11.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.21 -49.1 24.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 31.6 m-80 -54.55 -51.69 64.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.508 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 44.8 t -38.83 128.82 1.17 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 151.99 40.46 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.512 1.796 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -64.96 -33.74 76.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.345 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -71.32 -7.17 45.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.8 m -116.31 -8.83 11.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.647 ' CG ' ' CZ ' ' A' ' 57' ' ' ARG . 67.7 m-85 . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.52 0.2 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.508 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.02 119.33 5.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.8 mt -73.39 149.03 88.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.502 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -74.95 168.18 25.41 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.502 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.02 167.72 79.6 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.988 0.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -138.31 110.8 7.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.343 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.0 mp -77.88 133.6 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.517 ' CE1' ' HG3' ' A' ' 56' ' ' MET . 5.0 m-85 -142.09 129.6 21.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 80' ' ' SER . 21.4 t-20 -90.25 99.51 12.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 58.37 -82.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -127.57 0.32 6.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -105.17 168.17 9.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.522 ' CD1' ' N ' ' A' ' 83' ' ' ARG . 11.7 t80 -107.39 156.98 18.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.522 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 30.6 mmm180 -128.06 -61.84 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.335 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.483 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 176.27 -174.89 47.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -105.78 -172.71 2.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 0.0 109.349 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.2 t80 -50.46 -33.73 22.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.057 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.87 -56.59 17.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.549 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . . . -61.39 -31.49 71.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.502 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 28.3 t80 -66.67 -43.03 85.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -69.99 -46.74 64.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -58.11 -49.54 76.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.13 -26.22 66.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.414 ' N ' HG22 ' A' ' 98' ' ' VAL . 19.4 ttp180 -72.98 -56.22 5.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -57.13 -33.35 67.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -85.96 9.19 17.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 42.51 57.63 3.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -147.57 21.4 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 101' ' ' PHE . 1.6 t -51.01 -57.47 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -43.36 -41.7 4.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.443 ' O ' ' NH2' ' A' ' 83' ' ' ARG . . . -68.0 -38.97 83.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' A' ' 88' ' ' ALA . 11.3 t80 -71.39 -9.56 58.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 34.1 mt -112.29 -0.03 15.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.432 ' O ' ' CE ' ' A' ' 8' ' ' MET . . . 67.34 23.75 73.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.743 . . . . 0.0 109.282 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.462 ' CE ' ' HA3' ' A' ' 103' ' ' GLY . 12.9 mtp . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.509 0.195 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 t -72.75 140.78 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 42' ' ' GLU . 9.3 mm -106.49 104.63 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -101.0 128.94 46.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.6 t -114.07 136.85 49.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 23.8 m-85 -104.35 96.37 6.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 44' ' ' LYS . 2.3 pt -104.92 -179.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -128.62 70.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' ALA . 12.5 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.563 0.22 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.9 -56.6 3.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mt -53.58 -59.3 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -41.07 -52.61 3.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -61.0 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -41.09 -58.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.422 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 30.3 mt-30 -51.46 -46.44 63.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -65.28 -24.23 67.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.323 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -74.79 -31.3 61.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.0 t -81.62 -30.14 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.1 mt -80.36 -54.13 5.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.82 -44.45 24.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.473 ' CE2' HG11 ' A' ' 98' ' ' VAL . 67.0 t80 -60.82 -59.18 5.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.556 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 60.9 mt -55.77 -22.23 23.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -83.79 -47.35 11.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.96 -27.79 68.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -90.32 -0.7 57.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mttt 52.29 46.57 26.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 27.0 mt -88.86 149.17 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.235 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.23 78.22 1.96 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 50.0 p90 -109.83 176.26 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 10' ' ' ILE . 2.9 mm-40 -131.69 150.32 52.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -104.21 112.15 25.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' ILE . 11.8 mmmt -113.09 117.55 32.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -90.91 126.01 35.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.4 pt -94.28 -17.66 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.49 -66.51 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' A' ' 49' ' ' ASN . . . -84.84 54.8 3.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 48' ' ' ALA . 0.5 OUTLIER 160.35 100.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 53' ' ' ARG . 1.5 pm0 -73.81 -40.91 63.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -39.2 -42.93 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 56' ' ' MET . 19.8 m-20 -70.33 -44.91 67.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 50' ' ' GLU . 4.2 ttp180 -65.14 -45.64 84.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.17 . . . . 0.0 110.337 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 1.2 ttmm -60.96 -66.35 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.419 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 48.2 t90 -47.41 -59.95 2.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.575 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 7.0 ttp -45.8 -47.53 15.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.642 ' NE ' ' CE1' ' A' ' 70' ' ' TYR . 12.2 mtp180 -58.48 -36.38 73.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.18 -26.61 61.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -82.06 -53.04 6.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.491 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 51.3 t -40.87 128.0 1.95 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 152.7 41.27 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.558 1.82 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -64.1 -30.36 71.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.243 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.03 -13.06 61.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.475 ' OG ' ' CZ ' ' A' ' 82' ' ' TYR . 3.7 m -105.75 -25.33 12.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.642 ' CE1' ' NE ' ' A' ' 57' ' ' ARG . 70.8 m-85 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.452 0.168 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.491 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.98 114.58 4.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.543 1.812 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.6 mt -72.37 149.96 91.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.486 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.04 167.35 27.21 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.486 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -75.02 168.78 76.42 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.989 -2.504 . . . . 0.0 111.019 0.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -139.45 111.31 7.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 89' ' ' PHE . 2.8 mp -78.0 129.95 36.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.571 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 1.1 m-85 -138.65 129.74 26.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 80' ' ' SER . 24.4 t-20 -94.44 98.68 11.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 58.24 -81.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -130.8 5.43 4.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.046 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.9 165.17 11.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.48 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 3.1 t80 -110.67 148.49 32.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.42 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 27.7 mmm180 -120.13 -59.2 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.417 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 177.82 -174.32 46.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.133 . . . . 0.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -108.68 -174.98 2.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.442 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.1 t80 -45.66 -34.93 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.1 -56.76 15.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 101' ' ' PHE . . . -61.31 -32.33 72.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.42 ' HB2' ' CD1' ' A' ' 76' ' ' ILE . 8.8 t80 -64.15 -40.36 95.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -73.29 -49.93 24.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -54.49 -55.33 30.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.42 -27.0 33.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -77.38 -43.11 33.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.256 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.47 -37.02 82.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.239 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -86.43 10.92 13.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.1 m120 44.36 58.75 3.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -150.3 27.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.473 HG11 ' CE2' ' A' ' 33' ' ' PHE . 1.4 t -55.51 -61.24 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -41.85 -42.84 2.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.84 -41.95 91.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 88' ' ' ALA . 18.3 t80 -67.94 -11.28 58.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 31.3 mt -112.27 1.15 15.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.462 ' HA3' ' CE ' ' A' ' 8' ' ' MET . . . 69.49 14.18 69.09 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.452 1.095 . . . . 0.0 110.963 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.0 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 109.274 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.8 mtm . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.518 0.199 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 t -80.85 136.16 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 42' ' ' GLU . 8.7 mm -100.81 105.41 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 77' ' ' PHE . 40.4 mtt180 -101.28 126.73 48.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.7 t -113.12 133.79 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.436 ' OH ' ' CZ3' ' A' ' 55' ' ' TRP . 23.4 m-85 -101.9 98.74 8.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.1 pt -105.11 166.09 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -113.14 63.65 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 15' ' ' ALA . 41.1 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.7 -52.6 17.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.41 HG21 ' NE2' ' A' ' 27' ' ' GLN . 4.0 mt -60.67 -59.54 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -40.07 -57.29 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -57.8 -61.73 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -41.07 -58.67 1.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.41 ' NE2' HG21 ' A' ' 23' ' ' ILE . 31.2 mt-30 -52.18 -52.42 52.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -61.61 -20.59 63.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 25' ' ' LYS . 8.3 t70 -78.12 -33.59 50.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.0 t -81.33 -32.92 12.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.68 -53.13 7.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.97 -38.1 30.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.425 ' CE2' HG13 ' A' ' 98' ' ' VAL . 50.5 t80 -64.09 -52.48 59.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.572 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 35.0 mt -63.6 -17.65 63.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -87.65 -43.01 12.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.9 -31.0 65.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -88.39 2.28 52.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt 49.05 54.76 10.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.457 ' CD1' HD23 ' A' ' 34' ' ' LEU . 51.0 mt -96.26 149.74 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.93 74.59 2.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 37.9 p90 -108.12 176.17 5.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 0.718 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.6 mm-40 -131.18 150.45 52.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -105.29 110.26 22.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 14' ' ' ILE . 10.9 mmmt -109.99 117.83 34.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.67 130.56 34.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.466 ' HB ' ' CG ' ' A' ' 53' ' ' ARG . 9.0 pt -104.1 -18.04 6.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.63 -70.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.95 -78.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.96 117.33 2.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.93 -51.36 8.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 52' ' ' ASN . 11.7 pt-20 -40.64 -51.32 3.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.412 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 9.6 m-20 -54.11 -54.12 43.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.466 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 34.4 ttt180 -59.27 -54.39 47.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.17 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 55' ' ' TRP . 4.4 tttp -55.19 -65.31 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.603 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 89.0 t90 -41.44 -55.11 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.568 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 1.7 ttp -53.41 -43.77 68.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.454 ' O ' ' NH2' ' A' ' 65' ' ' ARG . 16.4 mtp180 -62.27 -21.19 65.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.275 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -95.41 -19.3 20.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 110.271 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.603 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.7 m-80 -84.43 -51.14 7.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.475 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 40.6 t -39.82 132.87 1.42 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 150.34 38.26 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -66.07 -17.21 64.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.167 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -85.36 -8.61 58.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.7 m -117.33 -8.67 11.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.037 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.454 ' NH2' ' O ' ' A' ' 57' ' ' ARG . 21.3 mtt180 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.447 ' CD1' ' HG2' ' A' ' 57' ' ' ARG . 35.5 m-85 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.491 0.186 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.475 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.5 Cg_endo -74.97 131.8 14.74 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.782 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 73' ' ' PRO . 1.1 pp -92.22 155.2 42.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.238 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.48 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.0 166.85 28.34 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.771 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.48 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.01 160.83 95.98 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.959 -2.517 . . . . 0.0 111.003 0.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -133.91 117.81 17.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 77' ' ' PHE . 2.8 mp -92.02 141.21 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 16.0 m-85 -145.92 128.76 16.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.516 ' O ' ' N ' ' A' ' 80' ' ' SER . 20.3 t-20 -83.51 96.38 8.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 65.93 -61.18 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -144.53 -39.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.003 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.83 162.11 24.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.53 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 14.6 t80 -101.0 140.95 34.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -110.07 -56.7 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.404 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 176.55 -172.18 45.15 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -117.41 -173.02 2.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.75 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.0 OUTLIER -45.56 -35.09 3.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.949 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.27 -54.77 39.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 101' ' ' PHE . . . -64.36 -35.85 82.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -59.15 -47.77 84.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -64.67 -51.95 59.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.048 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -53.42 -57.14 11.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.58 -27.2 15.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.418 ' CA ' HG23 ' A' ' 98' ' ' VAL . 7.6 ttp180 -75.29 -51.89 12.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -51.88 -40.11 60.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -87.74 12.79 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 40.66 54.52 3.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -138.37 15.27 2.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.455 HG12 ' CD1' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -45.44 -54.61 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -45.26 -46.73 12.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.12 96.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 88' ' ' ALA . 10.2 t80 -69.97 -10.89 60.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.455 ' CD1' HG12 ' A' ' 98' ' ' VAL . 29.0 mt -112.47 1.74 16.05 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 67.99 15.79 67.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.107 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.4 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.75 . . . . 0.0 109.271 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.4 ptt? . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.515 0.198 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 t -88.62 145.73 7.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.44 1.088 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 42' ' ' GLU . 14.5 mm -115.09 105.77 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 -100.91 126.31 47.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.4 t -109.59 132.28 58.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 27.9 m-85 -100.75 96.61 7.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 44' ' ' LYS . 2.3 pt -104.96 -177.65 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.439 ' N ' ' OE1' ' A' ' 27' ' ' GLN . . . -128.98 68.61 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' ALA . 15.5 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.95 -56.7 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.6 mt -50.23 -60.64 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ILE . 37.7 mtmt -39.56 -60.64 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.08 -61.16 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -43.02 -58.28 2.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.439 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 30.8 mt-30 -52.13 -49.52 63.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -63.11 -21.96 66.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -76.96 -34.02 57.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.4 t -81.63 -33.42 12.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.02 -53.52 6.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -51.36 -39.31 43.52 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.507 ' CE1' HG13 ' A' ' 98' ' ' VAL . 30.7 t80 -63.44 -53.86 45.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 34.7 mt -60.52 -21.39 62.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -83.34 -43.95 15.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.14 -28.19 65.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -90.09 3.68 52.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt 47.68 51.28 14.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.436 ' CD1' HD22 ' A' ' 34' ' ' LEU . 38.8 mt -92.62 150.0 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.45 71.25 2.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 32.0 p90 -105.91 176.34 5.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 0.775 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.5 mm-40 -132.0 151.42 51.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -103.91 111.95 24.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 14' ' ' ILE . 14.6 mmmt -112.29 116.79 30.96 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.433 ' OD2' ' N ' ' A' ' 48' ' ' ALA . 12.5 t70 -90.9 120.03 31.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.412 HD13 ' NE ' ' A' ' 53' ' ' ARG . 11.8 pt -89.06 -28.17 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.44 -66.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.433 ' N ' ' OD2' ' A' ' 45' ' ' ASP . . . -93.08 57.07 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.355 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 50' ' ' GLU . 8.2 t-20 174.52 56.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 49' ' ' ASN . 2.0 mt-10 -37.91 -48.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.267 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 18.0 pt-20 -42.89 -52.47 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.448 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 7.9 m-20 -53.04 -46.09 68.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.451 ' O ' ' CG ' ' A' ' 57' ' ' ARG . 29.5 ttt180 -67.86 -41.26 83.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.76 -62.04 2.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.448 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 31.6 t90 -54.46 -61.59 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 108.015 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.568 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 3.2 ttp -45.28 -50.59 11.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 111.041 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.651 ' NE ' ' CD1' ' A' ' 70' ' ' TYR . 36.6 mtt180 -49.6 -46.85 49.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.38 -48.29 82.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.354 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 33.8 m-80 -58.3 -58.46 8.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.494 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 55.0 t -38.37 122.59 1.1 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 150.22 38.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.475 1.776 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -58.18 -41.4 83.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -60.02 -22.25 62.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.499 ' OG ' ' CE1' ' A' ' 82' ' ' TYR . 1.4 m -97.34 -25.73 15.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.266 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.651 ' CD1' ' NE ' ' A' ' 57' ' ' ARG . 82.4 m-85 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.511 0.196 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.494 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.99 115.91 4.43 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.6 mt -77.32 150.3 79.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.487 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -74.95 167.33 27.31 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.455 1.766 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.487 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.0 155.62 99.97 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.989 0.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -128.27 110.51 12.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.7 mp -78.79 135.5 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.559 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 1.3 m-85 -145.33 129.86 17.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 80' ' ' SER . 23.0 t-20 -94.02 98.66 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 58.82 -81.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.251 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -131.32 5.12 4.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.028 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.63 164.45 12.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.499 ' CE1' ' OG ' ' A' ' 64' ' ' SER . 39.7 t80 -109.36 145.03 36.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -115.61 -52.82 2.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.477 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 169.63 -166.34 39.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -117.72 -178.36 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.1 t80 -42.41 -34.93 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -61.06 -55.76 28.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 101' ' ' PHE . . . -62.35 -36.15 81.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -58.84 -48.51 81.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -64.19 -51.82 61.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -53.75 -51.39 63.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.26 -23.27 63.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.416 ' N ' HG23 ' A' ' 98' ' ' VAL . 23.5 ttp85 -79.14 -56.5 4.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.445 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 1.6 mm-40 -54.44 -35.39 62.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -87.51 12.52 12.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 40.14 63.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.72 23.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.163 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.507 HG13 ' CE1' ' A' ' 33' ' ' PHE . 1.2 t -56.05 -58.88 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -43.16 -45.41 5.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.31 -37.0 82.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 88' ' ' ALA . 14.6 t80 -72.85 -12.0 60.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.552 1.158 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.449 ' CD1' HG12 ' A' ' 98' ' ' VAL . 45.5 mt -110.89 1.67 17.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 66.22 19.8 68.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.8 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.525 0.78 . . . . 0.0 109.28 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ptt? . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.482 0.182 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -86.15 138.08 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 42' ' ' GLU . 9.6 mm -102.41 105.13 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -101.13 123.41 45.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -108.18 128.5 63.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.443 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 10.5 m-85 -99.51 100.02 10.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.0 pt -105.2 174.52 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -119.53 63.82 0.8 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' ALA . 31.4 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.95 -44.63 40.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.1 mt -63.79 -57.89 9.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -40.05 -51.52 2.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' ASP . 1.9 ttmt -59.09 -64.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.2 mttp -41.05 -58.37 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -52.62 -49.4 65.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -63.09 -25.64 68.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 25' ' ' LYS . 3.8 t70 -73.37 -32.59 64.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.5 t -80.47 -32.15 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.3 mt -78.54 -54.38 6.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.43 -40.76 39.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.438 1.087 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -63.89 -50.82 67.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.563 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 51.8 mt -65.22 -23.16 67.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.117 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -82.29 -44.91 15.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.1 -32.87 74.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -87.67 3.66 47.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt 47.58 53.47 11.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.47 ' CD1' HD21 ' A' ' 34' ' ' LEU . 36.4 mt -92.86 149.84 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.82 71.06 2.82 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.14 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 45.0 p90 -103.72 176.34 5.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.1 mm-40 -131.15 150.96 51.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -106.06 116.44 31.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' ILE . 11.9 mmmt -116.96 117.83 30.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -87.91 137.32 32.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 14' ' ' ILE . 13.4 pt -112.65 -9.07 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.78 -53.35 18.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.94 -72.54 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.31 121.71 12.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.7 -51.8 6.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 15.0 pt-20 -39.81 -47.49 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.474 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 9.0 m-20 -55.66 -56.6 18.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.418 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 28.7 ttt180 -57.6 -53.66 55.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -55.43 -64.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.457 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 60.3 t90 -44.96 -62.34 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 108.005 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.572 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 9.2 ttp -42.96 -54.25 4.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.561 ' CZ ' ' CD2' ' A' ' 70' ' ' TYR . 28.6 mtt180 -48.41 -47.0 38.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.46 -37.3 77.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 25.6 m-80 -69.89 -54.48 13.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.502 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 67.2 t -38.84 127.86 1.18 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.73 42.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.93 -42.92 99.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 110.339 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -60.82 -15.54 31.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 m -104.53 -26.17 12.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.561 ' CD2' ' CZ ' ' A' ' 57' ' ' ARG . 70.2 m-85 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.5 0.19 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.502 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.01 133.82 17.05 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.494 1.786 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.454 HD11 ' O ' ' A' ' 73' ' ' PRO . 1.1 pp -86.56 152.59 54.82 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.475 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.02 167.23 27.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.466 1.771 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.475 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.03 161.84 94.04 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.971 0.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -129.06 110.21 11.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.431 HG21 ' N ' ' A' ' 77' ' ' PHE . 2.7 mp -83.9 139.29 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.572 ' CE1' ' HG3' ' A' ' 56' ' ' MET . 12.0 m-85 -148.16 129.17 14.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 80' ' ' SER . 24.1 t-20 -86.49 96.55 10.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 66.83 -60.3 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.266 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -147.94 -37.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.22 166.47 11.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.552 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 17.9 t80 -103.6 137.84 41.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -108.6 -52.03 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.552 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 169.11 -170.81 42.73 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.7 p-10 -113.24 -174.3 2.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 0.799 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.522 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -49.17 -34.27 14.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.95 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.53 -57.67 10.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.56 ' HB2' ' CE1' ' A' ' 101' ' ' PHE . . . -61.0 -32.01 71.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -65.16 -45.04 86.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -67.26 -50.54 60.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -52.73 -55.16 24.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.65 -25.48 39.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.405 ' N ' HG22 ' A' ' 98' ' ' VAL . 23.0 ttp85 -76.73 -41.7 44.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -66.37 -35.22 79.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -86.24 9.9 16.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 15.5 m120 45.18 59.65 3.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -152.08 26.72 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 101' ' ' PHE . 1.4 t -54.36 -57.19 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -42.27 -42.57 3.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.45 -41.27 93.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 24.6 t80 -69.81 -8.66 50.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.418 ' CD1' HG11 ' A' ' 98' ' ' VAL . 22.4 mt -115.42 0.5 13.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 65.87 24.86 71.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.5 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.311 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 mtp . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.512 0.196 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 t -90.32 132.34 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 mm -97.6 104.43 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -100.77 125.65 47.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.1 t -110.2 138.22 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.356 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.512 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 24.6 m-85 -106.22 94.52 5.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 46' ' ' ILE . 1.9 pt -104.77 -177.75 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.506 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -132.74 74.06 1.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.506 ' C ' ' O ' ' A' ' 15' ' ' ALA . 2.7 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.08 -49.81 2.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mt -62.13 -57.52 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -41.35 -45.71 3.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.26 -66.01 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -39.86 -56.86 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.448 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 28.9 mt-30 -53.13 -48.5 67.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -64.04 -19.91 65.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -78.83 -33.26 46.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.0 t -81.87 -33.75 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -77.37 -55.34 5.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.47 -39.91 37.97 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.415 ' CZ ' HG12 ' A' ' 98' ' ' VAL . 50.4 t80 -62.22 -51.57 67.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.563 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 54.6 mt -63.03 -24.91 68.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -79.84 -41.48 26.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.93 -31.01 65.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -88.93 9.46 24.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt 42.27 51.31 4.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.474 ' CD1' HD23 ' A' ' 34' ' ' LEU . 96.7 mt -93.54 149.49 4.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.88 83.02 1.54 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 40.9 p90 -117.04 175.99 5.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 0.799 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -132.5 141.76 48.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -95.03 117.8 30.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 14' ' ' ILE . 14.0 mmmt -118.82 117.63 29.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -87.79 136.56 32.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' A' ' 14' ' ' ILE . 6.2 pt -107.71 -24.6 3.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.84 -57.87 10.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.22 -74.28 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -55.49 123.25 13.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.8 -55.1 4.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 52' ' ' ASN . 12.4 pt-20 -39.84 -52.54 2.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.423 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 8.6 m-20 -48.25 -55.47 10.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.443 ' HG2' ' NE ' ' A' ' 57' ' ' ARG . 40.8 ttt180 -60.6 -64.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 1.0 OUTLIER -42.02 -64.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.466 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 31.7 t90 -49.58 -61.73 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 107.984 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.589 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 15.0 ttp -38.17 -61.66 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.661 ' CD ' ' CD1' ' A' ' 70' ' ' TYR . 29.7 mtm180 -43.36 -52.26 5.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -52.31 -38.81 59.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 28.2 m-80 -70.57 -55.32 9.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.516 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 73.7 t -38.11 125.22 1.05 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.02 151.99 40.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -67.61 -19.81 65.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -81.53 -12.33 58.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.7 m -108.06 -22.79 12.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.9 mtt85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 110.321 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.661 ' CD1' ' CD ' ' A' ' 57' ' ' ARG . 87.7 m-85 . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.455 0.169 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.516 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.01 115.2 4.21 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.519 1.8 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 73' ' ' PRO . 1.5 pp -75.22 152.19 85.99 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.459 ' O ' HD12 ' A' ' 72' ' ' LEU . 18.2 Cg_endo -75.02 165.74 30.66 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.446 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -75.0 168.45 77.4 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.987 -0.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -139.19 110.53 6.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.416 1.072 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.9 mp -76.78 128.79 37.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.359 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.589 ' CE1' ' HG3' ' A' ' 56' ' ' MET . 3.4 m-85 -138.17 129.81 28.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 80' ' ' SER . 11.0 t-20 -92.91 101.06 13.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 57.39 -83.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -126.73 -0.99 6.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -101.88 173.26 6.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 18.0 t80 -112.77 149.99 32.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -121.19 -53.95 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 167.07 -168.57 40.45 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -115.61 -177.17 3.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 0.749 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.421 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 0.9 OUTLIER -45.03 -34.12 2.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.974 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.43 -59.71 4.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.561 ' HB2' ' CE1' ' A' ' 101' ' ' PHE . . . -59.82 -26.28 65.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.4 ' HE1' ' CD2' ' A' ' 33' ' ' PHE . 18.8 t80 -72.29 -39.89 67.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -71.69 -41.87 68.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -63.07 -45.99 89.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.54 -24.32 67.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.39 -55.92 6.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.435 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 1.9 mm-40 -55.41 -36.01 65.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -81.03 2.69 25.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 49.32 39.25 15.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -131.49 32.53 4.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.233 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.415 HG12 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -59.86 -52.41 61.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -47.96 -42.36 27.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.59 -37.83 85.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.175 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 18.1 t80 -71.8 -11.93 61.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 36.0 mt -110.68 1.64 18.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 67.1 21.03 71.51 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 23.4 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 109.315 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.4 ptt? . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.481 0.181 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -82.49 144.61 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' GLU . 12.1 mm -108.15 107.73 23.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.465 ' CZ ' ' HE2' ' A' ' 44' ' ' LYS . 26.1 mtp180 -100.45 128.56 46.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.9 t -115.95 126.9 73.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 4.3 m-85 -100.0 99.36 10.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' LYS . 2.4 pt -105.08 177.28 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -124.19 67.28 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 15' ' ' ALA . 14.3 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.4 m . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.569 0.223 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.78 -60.59 1.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.6 mt -53.02 -60.81 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.367 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ILE . 33.2 mtmt -39.92 -50.34 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.3 OUTLIER -59.61 -65.23 0.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HG2' ' CE2' ' A' ' 86' ' ' TYR . 35.4 mttm -39.54 -55.98 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -54.2 -50.98 65.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -63.56 -21.52 66.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 25' ' ' LYS . 8.1 t0 -79.45 -34.26 41.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.3 t -79.55 -28.81 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.3 mt -82.47 -54.34 5.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.08 -39.17 26.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.44 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 35.7 t80 -64.0 -58.28 7.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.547 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 35.0 mt -56.18 -19.86 15.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -85.01 -47.18 10.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.96 -26.44 66.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -91.39 -0.86 57.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm 52.75 42.72 31.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.262 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.402 ' CD1' HD22 ' A' ' 34' ' ' LEU . 16.9 mt -83.57 151.34 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.4 72.97 2.29 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.547 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 38.7 p90 -106.28 175.77 5.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.4 mt-10 -134.24 139.06 45.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -93.74 114.27 26.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.465 ' HE2' ' CZ ' ' A' ' 11' ' ' ARG . 7.4 mmmt -115.24 125.45 53.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -94.75 129.78 41.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.461 ' CG1' ' HD2' ' A' ' 53' ' ' ARG . 13.3 pt -99.14 -13.5 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.78 -70.52 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.82 -94.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -52.63 121.78 7.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -84.98 -38.45 19.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -40.83 -41.16 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 56' ' ' MET . 11.8 m-20 -67.0 -55.94 12.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.461 ' HD2' ' CG1' ' A' ' 46' ' ' ILE . 26.5 ttt180 -56.54 -52.14 65.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 1.5 tttp -52.99 -71.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.621 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 87.3 t90 -43.45 -55.04 4.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 108.023 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.592 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 11.1 ttp -47.36 -49.22 24.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.697 ' CD ' ' CD1' ' A' ' 70' ' ' TYR . 45.7 mtm180 -57.1 -39.95 76.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.77 -14.51 60.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.621 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.8 m-80 -89.41 -56.16 3.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.491 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 54.6 t -41.54 127.55 2.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 151.27 39.41 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.429 1.752 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.41 -26.55 68.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -76.76 -7.89 56.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 m -113.07 -23.71 9.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.999 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 110.313 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.697 ' CD1' ' CD ' ' A' ' 57' ' ' ARG . 90.0 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.495 0.188 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.491 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.4 Cg_endo -75.01 122.06 6.97 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.514 1.797 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.7 mt -79.98 150.48 71.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.496 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.02 168.22 25.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.496 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.96 167.92 78.97 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.023 -0.052 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.51 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 67.3 mm-40 -137.73 110.44 7.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.405 HG21 ' N ' ' A' ' 77' ' ' PHE . 2.8 mp -83.42 137.33 21.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.592 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 57.7 m-85 -143.5 128.66 18.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 80' ' ' SER . 29.0 t-20 -85.95 96.85 9.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 78' ' ' ASN . 39.1 mt-10 66.48 -59.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 78' ' ' ASN . 1.5 t -147.41 -41.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.85 169.17 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.522 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 1.7 t80 -107.2 139.38 41.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -109.39 -56.97 2.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.421 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 173.74 -177.14 46.18 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.9 p-10 -111.19 -178.57 3.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 0.745 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.43 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -40.82 -37.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 111.001 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -60.94 -54.81 40.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.573 ' HB1' ' CE1' ' A' ' 101' ' ' PHE . . . -62.81 -33.31 74.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -64.8 -39.37 93.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 111.039 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -72.16 -48.37 43.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -56.75 -48.46 77.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.51 -21.2 66.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.41 ' N ' HG21 ' A' ' 98' ' ' VAL . 17.6 ttp180 -77.82 -56.26 4.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.423 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 1.9 mm-40 -53.68 -35.17 60.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -86.19 10.81 13.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 40.58 54.72 2.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -142.0 17.35 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.462 HG13 ' CD1' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -46.61 -54.03 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -46.08 -44.92 15.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.37 -37.39 86.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.573 ' CE1' ' HB1' ' A' ' 88' ' ' ALA . 14.4 t80 -73.11 -9.83 59.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.462 ' CD1' HG13 ' A' ' 98' ' ' VAL . 28.6 mt -113.0 -0.7 14.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.64 20.44 75.69 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.7 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.456 0.739 . . . . 0.0 109.316 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 104' ' ' LEU . 2.0 mtp . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.487 0.184 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.489 ' CG1' ' OE2' ' A' ' 42' ' ' GLU . 1.6 t -92.87 130.7 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.5 mm -98.15 105.72 17.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -101.1 124.33 46.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.345 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.9 t -109.49 137.26 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 14.7 m-85 -104.97 95.04 5.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 44' ' ' LYS . 1.9 pt -104.91 -178.93 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -130.04 73.44 1.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 15' ' ' ALA . 4.1 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 22' ' ' ALA . 2.0 m . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 21' ' ' THR . . . -39.65 -57.35 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.6 mt -53.98 -61.79 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 23' ' ' ILE . 36.1 mtmt -40.28 -53.24 2.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -55.61 -64.8 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 29' ' ' ASP . 39.8 mttm -40.82 -58.59 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.431 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 28.3 mt-30 -50.02 -39.5 41.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 25' ' ' LYS . 35.6 mt-30 -71.57 -21.73 61.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 26' ' ' LYS . 2.8 t0 -79.32 -32.31 43.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -81.35 -34.39 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.4 mt -77.47 -55.22 5.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.55 -40.55 32.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.463 ' CE2' HG13 ' A' ' 98' ' ' VAL . 62.7 t80 -63.18 -57.21 11.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.516 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 33.3 mt -57.47 -24.41 55.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -80.45 -44.66 18.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.49 -29.72 69.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -88.78 2.76 52.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 49.14 50.79 17.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.471 ' CD1' HD23 ' A' ' 34' ' ' LEU . 37.2 mt -92.2 145.86 7.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.76 75.6 2.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.516 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 52.5 p90 -106.97 175.81 5.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 111.024 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.489 ' OE2' ' CG1' ' A' ' 9' ' ' VAL . 1.3 mt-10 -130.3 138.74 50.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -92.24 114.99 27.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 14' ' ' ILE . 13.8 mmmt -115.01 115.18 26.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -89.53 127.74 35.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 14' ' ' ILE . 9.2 pt -93.29 -32.83 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.34 -61.4 2.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.8 50.47 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 172.28 92.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -66.89 -51.99 48.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.444 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 15.5 pt-20 -38.16 -51.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.444 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 7.6 m-20 -57.78 -55.75 30.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -56.62 -56.29 23.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 0.8 OUTLIER -48.34 -67.66 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.459 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 87.3 t90 -47.05 -57.37 5.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 107.987 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.573 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 11.7 ttp -44.96 -46.49 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.485 ' NE ' ' CG ' ' A' ' 70' ' ' TYR . 15.3 mtt180 -60.01 -41.44 92.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.29 -16.41 62.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.459 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 2.4 m-80 -91.68 -48.23 6.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.483 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 19.7 t -42.84 132.56 3.03 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.487 ' HD3' ' CG ' ' A' ' 82' ' ' TYR . 18.1 Cg_endo -75.04 150.84 38.55 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.789 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -63.47 -27.67 69.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -76.3 -5.92 49.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.2 m -115.42 -12.06 11.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.012 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.485 ' CG ' ' NE ' ' A' ' 57' ' ' ARG . 83.9 m-85 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.507 0.194 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.483 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.0 119.66 5.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.788 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 47.4 mt -73.83 151.29 88.76 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.486 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.0 167.46 26.99 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.486 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -75.03 173.41 58.05 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.002 0.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.409 ' NE2' ' HB2' ' A' ' 71' ' ' PRO . 53.0 mm-40 -143.78 110.43 5.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.251 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 77' ' ' PHE . 2.8 mp -76.47 138.79 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 7.3 m-85 -149.03 129.48 13.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 81' ' ' GLN . 23.9 t-20 -90.12 99.2 12.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 59.77 -83.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -124.29 -10.01 7.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.996 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -96.09 161.3 14.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.28 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.507 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 2.2 t80 -102.45 150.87 22.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.48 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 30.7 mmm180 -119.51 -61.94 1.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.507 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 178.38 -171.73 44.09 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -111.09 -176.64 3.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 0.0 109.322 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.465 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 0.7 OUTLIER -47.09 -36.8 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -61.37 -52.92 62.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.558 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . . . -64.5 -32.96 74.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -63.85 -38.99 93.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -72.7 -48.88 35.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -56.41 -54.82 41.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.91 -21.97 23.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.3 ttp180 -80.32 -45.87 17.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.353 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -58.25 -38.29 76.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.262 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -86.23 9.8 16.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 45.69 55.66 6.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -141.52 19.27 2.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.463 HG13 ' CE2' ' A' ' 33' ' ' PHE . 1.4 t -49.08 -53.76 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -51.6 -41.44 61.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.52 -27.64 65.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.558 ' CE1' ' HB3' ' A' ' 88' ' ' ALA . 22.9 t80 -83.41 -9.1 59.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 43.2 mt -105.63 -3.55 22.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.05 14.84 76.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.457 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 5.1 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 103' ' ' GLY . 48.8 mtm . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.485 0.183 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 t -81.5 140.01 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 42' ' ' GLU . 7.8 mm -103.64 104.91 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 77' ' ' PHE . 24.6 mtt180 -101.46 135.1 43.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.67 136.96 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 19.9 m-85 -103.52 96.96 7.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 44' ' ' LYS . 1.9 pt -105.11 -179.62 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -128.32 70.56 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 15' ' ' ALA . 6.8 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.976 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.18 -54.61 15.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.0 mt -51.88 -59.87 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -44.2 -40.1 4.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -69.66 -65.61 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -41.03 -57.09 2.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -51.51 -44.64 62.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 110.343 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -67.25 -26.09 66.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -73.64 -29.14 62.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.6 t -83.71 -31.03 7.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.1 mt -80.56 -54.04 6.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.85 -44.82 31.59 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.438 ' CE2' HG13 ' A' ' 98' ' ' VAL . 49.0 t80 -59.9 -55.93 27.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 0.799 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.56 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 67.2 mt -58.11 -22.38 50.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -83.35 -45.44 13.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.5 -27.53 67.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -94.18 5.73 50.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 45.88 52.63 9.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.352 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.465 ' CD1' HD21 ' A' ' 34' ' ' LEU . 36.5 mt -92.47 148.5 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.43 75.3 2.34 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.56 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 49.3 p90 -108.0 176.23 5.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 0.723 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 10' ' ' ILE . 2.8 mm-40 -132.15 150.56 52.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -104.86 110.58 23.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 14' ' ' ILE . 12.7 mmmt -110.94 117.55 33.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.47 ' OD2' ' N ' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -92.8 121.94 34.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.2 pt -87.13 -28.89 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.8 -73.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.47 ' N ' ' OD2' ' A' ' 45' ' ' ASP . . . -84.26 50.15 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -179.91 91.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.29 -53.72 27.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 11.2 pt-20 -38.03 -52.31 1.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.449 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 9.1 m-20 -55.68 -54.38 44.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -58.33 -54.69 44.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.306 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 57' ' ' ARG . 4.4 tttt -53.01 -66.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.427 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 90.0 t90 -46.52 -60.01 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 108.028 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.581 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 11.5 ttp -44.43 -49.24 9.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.588 ' NE ' ' CE1' ' A' ' 70' ' ' TYR . 11.3 mtp180 -56.39 -42.6 78.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.15 -22.15 65.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.256 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 3.3 m-80 -85.0 -52.51 5.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.478 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 48.7 t -40.1 131.07 1.59 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 150.17 38.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.434 1.755 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -55.31 -47.73 75.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -56.2 -18.61 10.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -101.33 -27.11 13.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.244 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.588 ' CE1' ' NE ' ' A' ' 57' ' ' ARG . 68.0 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.512 0.196 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.478 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.05 130.88 13.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.515 1.797 . . . . 0.0 111.03 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 73' ' ' PRO . 1.0 OUTLIER -84.89 153.47 60.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.483 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -74.95 167.59 26.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.483 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.04 166.03 84.34 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.988 -0.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -137.02 110.67 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 77' ' ' PHE . 3.0 mt -84.36 142.22 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.581 ' CE1' ' HG3' ' A' ' 56' ' ' MET . 12.8 m-85 -147.42 129.05 15.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.513 ' O ' ' N ' ' A' ' 80' ' ' SER . 19.9 t-20 -84.68 96.5 9.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 66.78 -59.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.3 OUTLIER -147.92 -39.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -68.13 167.33 14.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.502 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 15.6 t80 -102.16 150.3 23.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -120.32 -53.63 2.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.339 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.502 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 174.45 174.6 41.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.563 1.165 . . . . 0.0 110.99 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 88' ' ' ALA . 25.7 p-10 -103.73 177.34 4.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 109.318 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -39.7 -34.84 0.27 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.48 -53.3 54.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.567 ' HB2' ' CE1' ' A' ' 101' ' ' PHE . . . -65.7 -30.23 70.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -65.59 -48.73 71.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -64.89 -49.43 70.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -54.51 -54.09 45.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.26 -20.27 40.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.423 ' N ' HG22 ' A' ' 98' ' ' VAL . 18.9 ttp180 -83.1 -41.18 18.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.44 -40.12 96.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -84.42 7.8 18.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.2 m120 47.65 58.93 4.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -145.47 20.19 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -50.36 -57.59 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -44.78 -41.4 6.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.81 -35.42 76.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 22.2 t80 -75.61 -9.88 58.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.428 ' CD1' HG12 ' A' ' 98' ' ' VAL . 29.3 mt -112.84 2.37 15.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.4 ' O ' ' SD ' ' A' ' 8' ' ' MET . . . 67.78 16.9 68.66 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.0 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 109.348 179.929 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.469 0.176 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.412 ' CG1' ' OE2' ' A' ' 42' ' ' GLU . 1.3 t -88.06 133.85 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.353 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 42' ' ' GLU . 9.3 mm -98.43 106.28 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -100.81 125.44 47.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.4 t -112.43 126.85 69.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.584 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 10.2 m-85 -98.41 100.65 11.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.411 HG21 ' CG ' ' A' ' 27' ' ' GLN . 2.8 pt -105.05 170.85 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -116.62 63.39 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 15' ' ' ALA . 32.7 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.042 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.05 -56.99 2.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.9 mt -52.65 -59.89 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 23' ' ' ILE . 28.8 mtmt -38.58 -51.82 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -64.53 -62.26 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.559 ' HD3' ' CD1' ' A' ' 86' ' ' TYR . 46.2 mttt -39.11 -46.37 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.411 ' CG ' HG21 ' A' ' 14' ' ' ILE . 29.7 mt-30 -67.31 -42.15 84.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -65.84 -43.33 88.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 28' ' ' GLN . 15.6 t0 -60.64 -26.28 66.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.5 t -84.45 -39.47 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.6 mt -74.03 -55.75 5.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.64 -40.25 32.28 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.508 1.13 . . . . 0.0 110.956 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.547 ' CE2' HG12 ' A' ' 98' ' ' VAL . 66.0 t80 -63.0 -55.25 27.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.791 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 51.3 mt -60.27 -25.38 65.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -80.6 -45.52 17.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.26 -33.04 75.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -88.73 8.55 28.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 43.71 48.13 6.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.405 ' CD1' HD22 ' A' ' 34' ' ' LEU . 23.2 mt -87.13 151.87 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -89.51 75.15 1.87 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.477 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 38.7 p90 -106.52 175.39 5.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.412 ' OE2' ' CG1' ' A' ' 9' ' ' VAL . 1.9 mt-10 -131.52 141.36 49.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -96.09 117.83 31.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 14' ' ' ILE . 14.8 mmmt -118.57 115.27 24.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -90.48 123.6 34.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.1 pt -91.91 -13.88 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.47 -61.87 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.15 51.95 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 170.27 101.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.67 -49.54 30.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 9.2 pt-20 -39.32 -47.6 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.464 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 11.4 m-20 -60.98 -59.6 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -52.73 -50.52 63.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 10.2 tttt -56.29 -70.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.595 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 64.6 t90 -42.81 -55.6 3.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 108.053 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.588 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 12.3 ttp -45.02 -49.67 11.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.501 ' NE ' ' CD1' ' A' ' 70' ' ' TYR . 7.7 mtp180 -59.62 -42.82 93.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.99 -21.14 66.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.595 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.8 m-80 -86.82 -48.43 8.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.474 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 48.1 t -46.65 133.57 8.12 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.94 151.82 40.31 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -63.08 -34.42 77.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -69.78 -8.17 45.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 m -112.12 -24.03 10.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.407 1.067 . . . . 0.0 110.287 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.501 ' CD1' ' NE ' ' A' ' 57' ' ' ARG . 36.6 m-85 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.507 0.194 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.474 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.1 Cg_endo -74.96 129.09 12.05 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.6 mt -83.26 148.71 56.68 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.493 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.01 167.59 26.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.493 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -75.0 165.83 84.9 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.013 -2.495 . . . . 0.0 111.009 0.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.533 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 45.6 mm-40 -136.91 110.72 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.8 mp -81.85 131.56 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.588 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 49.1 m-85 -138.35 128.52 25.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 80' ' ' SER . 16.8 t-20 -85.4 97.49 10.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 66.38 -61.22 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.335 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -146.21 -40.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.27 168.96 6.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.574 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 15.7 t80 -102.42 143.58 31.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -115.15 -49.25 2.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.574 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 168.37 -177.31 42.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -112.15 -171.71 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.559 ' CD1' ' HD3' ' A' ' 26' ' ' LYS . 2.2 t80 -51.62 -38.36 54.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.49 -48.97 79.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.559 ' HB1' ' CE1' ' A' ' 101' ' ' PHE . . . -67.99 -38.0 82.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -58.34 -51.79 68.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -59.37 -47.44 85.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -59.34 -48.57 81.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.03 -20.63 62.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.421 ' N ' HG23 ' A' ' 98' ' ' VAL . 11.9 ttp85 -79.64 -54.58 5.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.456 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 1.5 mm-40 -52.93 -36.9 60.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -85.87 9.81 15.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 42.41 51.05 4.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.75 19.98 2.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.547 HG12 ' CE2' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -49.58 -56.17 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -46.22 -43.81 15.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.7 86.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.559 ' CE1' ' HB1' ' A' ' 88' ' ' ALA . 20.3 t80 -72.53 -10.82 60.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 30.2 mt -112.7 2.85 16.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 66.32 21.32 70.22 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.7 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 ptt? . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.532 0.206 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.1 t -86.2 141.68 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 42' ' ' GLU . 9.3 mm -106.61 106.14 20.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -101.12 123.22 44.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.5 t -109.04 129.67 63.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -100.76 99.16 9.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 46' ' ' ILE . 2.7 pt -104.97 169.48 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -112.98 63.66 0.64 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.138 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' ALA . 35.5 t . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 110.026 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.386 -0.228 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.66 -54.39 6.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.3 mt -53.07 -60.81 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -39.8 -51.49 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -63.71 -61.04 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -41.39 -58.97 1.7 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -51.83 -50.95 59.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 110.305 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -64.2 -19.04 65.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 25' ' ' LYS . 2.6 t70 -79.55 -34.88 40.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.451 HG21 ' CD2' ' A' ' 89' ' ' PHE . 79.7 t -80.42 -34.08 14.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 78.8 mt -76.16 -52.76 9.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -51.88 -38.46 46.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.475 ' CE2' HG12 ' A' ' 98' ' ' VAL . 48.2 t80 -63.98 -51.04 66.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 0.745 . . . . 0.0 111.058 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.567 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 39.2 mt -64.28 -19.9 65.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -86.01 -42.0 14.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.0 -31.47 66.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -86.72 0.22 55.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt 52.1 49.62 20.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.464 ' CD1' HD22 ' A' ' 34' ' ' LEU . 78.6 mt -91.85 155.66 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.96 75.81 1.39 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.564 1.165 . . . . 0.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 34.6 p90 -108.96 176.27 5.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.1 mm-40 -131.74 151.42 51.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -105.2 112.8 26.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.253 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 14' ' ' ILE . 12.4 mmmt -114.7 118.35 33.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -88.77 138.35 31.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 14' ' ' ILE . 20.2 pt -110.55 -15.81 9.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.08 -47.29 68.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.71 -85.77 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -55.59 124.2 16.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.23 -51.14 8.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 9.2 pt-20 -40.29 -47.99 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.488 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 7.5 m-20 -52.36 -54.23 34.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.43 ' HG2' ' NE ' ' A' ' 57' ' ' ARG . 37.0 ttt180 -60.96 -62.68 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -46.09 -64.97 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.483 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 68.0 t90 -44.38 -61.87 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 108.035 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.586 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 15.6 ttp -41.41 -61.66 1.01 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.687 ' CD ' ' CD1' ' A' ' 70' ' ' TYR . 28.3 mtm180 -40.39 -53.08 2.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -52.57 -44.07 65.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 26.5 m-80 -63.06 -57.05 11.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.512 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 73.4 t -37.41 127.47 0.86 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 148.32 34.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.475 1.776 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.46 ' HA ' ' CD ' ' A' ' 65' ' ' ARG . 12.6 pt-20 -63.86 -25.05 67.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -79.65 -4.83 53.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.2 m -120.4 -4.55 9.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.46 ' CD ' ' HA ' ' A' ' 62' ' ' GLU . 5.6 mtt180 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.687 ' CD1' ' CD ' ' A' ' 57' ' ' ARG . 79.8 m-85 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.504 0.192 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.512 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.97 128.41 11.48 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.546 1.813 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.403 ' O ' ' NE2' ' A' ' 75' ' ' GLN . 15.6 mt -87.21 154.14 54.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.511 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.5 Cg_endo -74.95 168.65 24.36 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.511 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -74.99 159.93 97.29 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 121.02 -2.492 . . . . 0.0 110.964 -0.009 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.403 ' NE2' ' O ' ' A' ' 72' ' ' LEU . 54.7 mm-40 -129.96 112.31 13.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.238 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 77' ' ' PHE . 2.8 mp -88.35 138.14 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.586 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 13.8 m-85 -143.66 128.64 18.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.962 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 80' ' ' SER . 22.4 t-20 -84.02 95.77 8.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 65.79 -59.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.1 OUTLIER -148.46 -38.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.45 163.78 15.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -102.44 136.63 41.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -107.35 -56.48 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.31 -170.21 43.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.135 . . . . 0.0 110.979 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -117.88 -176.92 3.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 0.6 OUTLIER -43.96 -35.63 2.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -61.53 -55.81 26.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.572 ' HB1' ' CE1' ' A' ' 101' ' ' PHE . . . -62.5 -34.81 77.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.451 ' CD2' HG21 ' A' ' 30' ' ' VAL . 33.6 t80 -62.87 -45.24 93.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -65.71 -49.02 70.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -56.21 -52.93 62.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.24 -26.61 40.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.083 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.449 ' CA ' HG22 ' A' ' 98' ' ' VAL . 0.9 OUTLIER -75.66 -52.31 10.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.281 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.66 -40.49 60.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -87.35 12.51 11.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.1 m120 41.42 63.46 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.52 22.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.475 HG12 ' CE2' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -53.45 -52.48 32.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -46.23 -47.23 18.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.31 98.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.572 ' CE1' ' HB1' ' A' ' 88' ' ' ALA . 15.0 t80 -67.87 -10.89 56.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.427 ' CD1' HG11 ' A' ' 98' ' ' VAL . 32.3 mt -111.91 -0.9 15.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 71.74 17.15 76.48 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.3 mt . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.498 ' CE ' ' O ' ' A' ' 103' ' ' GLY . 96.4 mtp . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.515 0.198 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -71.85 140.91 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.243 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 42' ' ' GLU . 12.6 mm -108.28 106.65 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.3 mtt-85 -100.95 131.52 46.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.436 ' CG1' ' O ' ' A' ' 75' ' ' GLN . 13.7 t -119.75 130.77 73.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.418 ' CD2' ' HB2' ' A' ' 56' ' ' MET . 20.5 m-85 -100.29 100.71 11.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.424 ' N ' ' O ' ' A' ' 44' ' ' LYS . 3.1 pt -105.32 161.9 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -109.06 62.4 0.6 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' ALA . 42.5 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.015 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.8 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.71 -64.08 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' LYS . 4.1 mt -51.63 -61.13 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ILE . 41.1 mtmt -40.06 -50.75 2.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -60.59 -64.77 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -42.54 -57.17 2.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -52.74 -41.13 63.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -74.76 -18.44 60.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 25' ' ' LYS . 5.7 t70 -83.58 -35.38 24.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.429 HG21 ' CD2' ' A' ' 89' ' ' PHE . 89.4 t -79.21 -31.13 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.6 mt -81.53 -51.69 8.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.71 -33.45 59.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.433 ' CE1' ' ND2' ' A' ' 37' ' ' ASN . 46.0 t80 -65.82 -56.06 13.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 0.801 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.461 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 16.3 mt -58.6 -24.13 60.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -80.34 -41.36 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.6 -26.87 62.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.433 ' ND2' ' CE1' ' A' ' 33' ' ' PHE . 35.1 m-80 -93.58 1.03 56.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 51.63 51.3 16.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.419 ' CD1' HD23 ' A' ' 34' ' ' LEU . 46.5 mt -95.02 148.51 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.65 77.87 2.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 48.1 p90 -108.12 176.22 5.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.9 OUTLIER -130.98 149.64 52.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 0.0 110.279 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -106.45 114.1 28.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 14' ' ' ILE . 11.1 mmmt -114.48 119.26 36.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.56 131.32 34.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.443 ' HB ' ' CG ' ' A' ' 53' ' ' ARG . 25.6 pt -102.93 -23.15 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.63 -73.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.87 -79.34 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -54.42 123.96 14.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 51' ' ' GLU . 1.1 tp10 -86.36 -53.21 5.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 11.2 pt-20 -38.46 -52.7 1.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.431 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 9.6 m-20 -52.57 -53.09 51.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.443 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 47.0 ttt180 -60.77 -58.03 10.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 0.7 OUTLIER -50.11 -67.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.603 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 82.5 t90 -43.32 -54.73 4.46 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.583 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 6.7 ttp -52.2 -49.19 64.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.566 ' HD2' ' CD1' ' A' ' 70' ' ' TYR . 77.5 mtm180 -58.22 -28.88 65.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -88.88 -15.44 34.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.287 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.603 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.0 OUTLIER -82.78 -54.99 4.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.484 HG21 ' CG ' ' A' ' 71' ' ' PRO . 92.4 t -39.86 135.68 1.28 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.519 ' HD3' ' CG ' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -74.99 149.18 36.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -64.39 -16.2 61.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.71 -12.58 53.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 m -110.67 -23.68 10.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.274 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.566 ' CD1' ' HD2' ' A' ' 57' ' ' ARG . 31.4 m-85 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.506 0.193 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.484 ' CG ' HG21 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.96 118.29 5.22 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 111.036 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.545 ' O ' ' NE2' ' A' ' 75' ' ' GLN . 1.5 pp -81.81 149.37 63.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.531 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -74.98 169.64 22.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.531 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.04 171.82 66.17 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.012 0.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.545 ' NE2' ' O ' ' A' ' 72' ' ' LEU . 42.1 mm-40 -132.34 137.45 47.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.545 HG23 ' CE2' ' A' ' 101' ' ' PHE . 3.9 mp -104.55 103.95 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.583 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 37.6 m-85 -117.6 129.0 55.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.506 ' O ' ' N ' ' A' ' 80' ' ' SER . 25.6 t-20 -89.65 96.68 10.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 78' ' ' ASN . 70.5 mt-10 67.16 -56.99 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -149.78 -39.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.962 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.54 163.47 13.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.525 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 31.1 t80 -101.76 141.72 34.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -114.47 -44.46 3.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.525 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 159.47 -179.98 34.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.133 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.5 p-10 -101.36 -171.11 1.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.425 ' CB ' ' HD2' ' A' ' 74' ' ' PRO . 0.2 OUTLIER -51.75 -42.53 62.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.417 ' N ' ' CD1' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -55.3 -43.62 75.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.574 ' HB1' ' CE1' ' A' ' 101' ' ' PHE . . . -70.49 -40.59 73.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.429 ' CD2' HG21 ' A' ' 30' ' ' VAL . 15.5 t80 -57.88 -51.65 68.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -60.52 -52.71 64.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -51.32 -56.02 15.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.72 -29.13 37.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -74.28 -48.52 27.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -52.74 -40.69 63.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -86.99 11.11 14.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 45.54 58.06 4.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -141.54 15.86 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -45.45 -59.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -43.95 -44.8 7.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.32 95.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.574 ' CE1' ' HB1' ' A' ' 88' ' ' ALA . 30.0 t80 -67.28 -11.97 58.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.533 ' CD2' ' CG2' ' A' ' 76' ' ' ILE . 33.0 mt -109.89 -3.21 16.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.498 ' O ' ' CE ' ' A' ' 8' ' ' MET . . . 73.8 13.57 80.51 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.448 1.092 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.8 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 p -172.93 140.77 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 0.79 . . . . 0.0 110.021 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -172.67 169.62 4.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.19 61.33 0.65 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.0 p -141.06 148.62 40.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 0.733 . . . . 0.0 110.048 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 m -62.77 139.73 58.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.031 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.78 -130.54 2.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.528 1.143 . . . . 0.0 110.955 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 38.86 85.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.494 ' CG1' ' OE2' ' A' ' 42' ' ' GLU . 1.4 t -90.44 137.37 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.1 mm -102.25 105.39 17.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -101.6 129.24 47.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -117.03 137.65 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.528 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 22.5 m-85 -105.25 96.99 6.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' ILE . 2.1 pt -104.88 176.88 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -124.17 69.62 1.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' ALA . 13.1 t -35.92 -53.32 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.451 ' CB ' ' HB3' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -77.61 55.39 1.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 p -100.65 179.75 4.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.968 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.81 -51.8 0.12 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.99 109.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 0.806 . . . . 0.0 110.008 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.8 m -47.39 -51.33 20.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.367 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.63 -56.29 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mt -51.3 -63.62 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -40.91 -51.35 3.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' ASP . 1.3 mptt -59.47 -63.42 1.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -40.26 -57.38 1.74 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -52.96 -47.85 67.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -66.18 -19.51 65.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 25' ' ' LYS . 7.8 t0 -78.7 -33.93 46.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.6 t -81.27 -35.58 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.23 -56.19 5.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.98 -42.48 22.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.542 ' CE2' HG12 ' A' ' 98' ' ' VAL . 51.0 t80 -60.27 -53.28 59.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 0.763 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 78.3 mt -61.71 -25.72 67.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -80.37 -42.82 22.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.94 -31.2 67.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -86.96 1.85 51.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 mmtm 50.95 46.78 25.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.448 ' CD1' HD23 ' A' ' 34' ' ' LEU . 66.7 mt -90.2 150.9 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -89.18 83.1 1.44 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 37.0 p90 -114.69 175.68 5.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.494 ' OE2' ' CG1' ' A' ' 9' ' ' VAL . 1.6 mt-10 -131.28 139.14 49.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -93.32 112.41 24.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 14' ' ' ILE . 12.7 mmmt -113.1 120.03 39.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 47' ' ' ALA . 55.0 t0 -91.04 137.29 32.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' ILE . 18.1 pt -106.27 -26.64 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.451 ' HB3' ' CB ' ' A' ' 17' ' ' SER . . . -52.33 -62.52 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.21 -74.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.66 119.4 6.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.21 -53.81 5.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 10.2 pt-20 -39.87 -47.31 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.474 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 10.8 m-20 -55.47 -53.49 55.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.426 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 40.7 ttt180 -61.25 -53.96 50.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -55.86 -65.88 0.52 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.6 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 89.0 t90 -44.17 -58.77 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 107.98 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.546 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 4.7 ttp -48.09 -46.47 33.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.603 ' NH2' ' CD2' ' A' ' 70' ' ' TYR . 14.3 mtt180 -59.07 -39.96 83.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.71 -15.29 61.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.6 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.6 m-80 -91.5 -49.87 6.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.478 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 25.0 t -41.07 133.43 1.86 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.31 39.47 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 111.035 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -62.47 -42.53 99.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.2 -15.14 31.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.8 m -105.9 -25.22 12.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.965 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.432 ' NH1' ' O ' ' A' ' 57' ' ' ARG . 39.7 mtp85 -61.98 145.14 93.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -166.79 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.493 1.786 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.2 -48.17 74.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.3 t -177.84 135.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.14 32.7 1.62 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.603 ' CD2' ' NH2' ' A' ' 57' ' ' ARG . 87.4 m-85 56.3 162.14 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.535 0.785 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.478 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.01 128.13 11.23 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.2 mt -81.93 152.0 68.1 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.354 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.501 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -74.95 168.26 25.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.501 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.1 Cg_endo -75.07 167.25 81.01 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.953 0.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -138.37 111.34 7.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.419 HG23 ' N ' ' A' ' 77' ' ' PHE . 2.7 mp -85.52 138.11 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.546 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 12.6 m-85 -144.93 128.7 17.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 80' ' ' SER . 22.7 t-20 -83.86 96.45 8.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 65.73 -59.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 78' ' ' ASN . 3.7 t -145.81 -39.81 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.13 161.3 22.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.521 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 6.0 t80 -98.07 145.97 26.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 111.058 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -115.52 -55.76 2.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.521 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 170.75 179.0 41.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.145 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 88' ' ' ALA . 25.6 p-10 -108.63 176.94 4.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.421 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.0 OUTLIER -37.88 -36.08 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 110.945 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -63.23 -55.0 28.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.559 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . . . -64.33 -28.61 69.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -68.02 -51.98 40.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -60.61 -47.5 85.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -55.46 -50.7 69.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.23 -25.57 67.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.416 ' N ' HG22 ' A' ' 98' ' ' VAL . 25.6 ttp85 -73.14 -55.89 5.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.452 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 1.6 mm-40 -53.71 -35.3 61.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.143 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -84.71 7.72 19.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.8 m120 45.54 48.16 11.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -139.37 31.04 2.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.542 HG12 ' CE2' ' A' ' 33' ' ' PHE . 1.4 t -60.13 -55.44 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -46.09 -40.35 10.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.54 -36.55 78.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 88' ' ' ALA . 28.0 t80 -73.98 -10.02 59.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 31.3 mt -112.64 2.32 16.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 67.77 18.2 70.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.163 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 23.7 mt -91.68 -174.85 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 51.5 m -113.3 149.45 33.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -100.27 148.25 34.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.12 33.57 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 109.11 2.87 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.477 1.777 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 125.03 -23.31 6.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.86 173.69 6.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.763 . . . . 0.0 110.015 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.92 -21.48 62.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -73.2 -25.74 60.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -97.39 -38.21 9.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.5 -62.54 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 75.1 t 41.28 89.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.9 t -156.61 107.3 2.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.003 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 168.48 153.69 8.4 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 165.22 31.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.2 t 53.32 100.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.0 p -153.46 126.47 8.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.958 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 t -167.53 -58.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 109.968 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -42.42 149.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.29 74.45 0.02 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.1 159.5 17.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.979 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.73 104.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.968 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.7 -177.75 47.4 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 103' ' ' GLY . 73.6 mtp -128.08 85.71 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.1 t -75.71 141.29 16.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 42' ' ' GLU . 10.5 mm -105.28 105.56 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -101.43 123.61 45.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 t -107.91 128.49 63.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 19.6 m-85 -97.76 97.35 8.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 46' ' ' ILE . 2.7 pt -105.26 -178.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -126.82 65.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 17' ' ' SER . 29.9 t -38.53 125.63 1.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.4 OUTLIER 85.07 54.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.984 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 p -104.27 113.95 27.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.006 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -47.66 -43.04 21.42 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.5 m -62.09 120.59 11.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.999 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 m -65.87 -49.63 67.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.11 -53.06 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.1 mt -57.08 -63.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -40.0 -56.69 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -54.81 -60.93 2.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -43.8 -57.49 3.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.406 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 29.4 mt-30 -52.6 -46.51 67.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.26 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -70.11 -15.7 63.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 110.25 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 25' ' ' LYS . 5.0 t0 -82.28 -35.51 27.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.457 HG21 ' CD2' ' A' ' 89' ' ' PHE . 41.8 t -81.12 -34.34 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.0 mt -76.75 -55.41 5.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.237 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.27 -37.7 18.21 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.499 ' CD1' ' ND2' ' A' ' 37' ' ' ASN . 60.7 t80 -64.69 -53.65 44.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 0.755 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.536 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 26.7 mt -62.31 -17.0 57.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -88.66 -39.17 14.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.86 -28.43 55.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.499 ' ND2' ' CD1' ' A' ' 33' ' ' PHE . 26.3 m-80 -89.9 8.56 31.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm 44.99 47.59 9.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.468 ' CD1' HD21 ' A' ' 34' ' ' LEU . 67.1 mt -90.62 154.51 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.71 78.92 1.15 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.536 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 35.4 p90 -111.02 175.97 5.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 0.782 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.1 mm-40 -130.73 150.62 51.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -104.62 112.79 26.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 14' ' ' ILE . 13.0 mmmt -115.03 110.81 20.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -88.35 131.3 34.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' ILE . 16.5 pt -97.44 -27.24 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.94 -60.83 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.15 57.05 1.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 169.43 93.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -70.42 -52.56 21.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.279 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 12.9 pt-20 -37.12 -47.38 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.316 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.468 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 7.0 m-20 -61.89 -50.47 72.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.464 ' NE ' HH21 ' A' ' 57' ' ' ARG . 23.9 ttt180 -62.48 -54.03 46.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 1.3 ttmm -50.53 -64.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.424 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 77.0 t90 -48.08 -62.03 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 107.983 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.565 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 6.7 ttp -45.53 -49.65 13.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.539 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 47.8 mtt180 -52.22 -42.4 63.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.73 -22.95 62.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 4.2 m-80 -83.22 -49.02 9.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.501 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 7.0 t -40.6 134.76 1.59 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.498 ' HD3' ' CG ' ' A' ' 82' ' ' TYR . 18.2 Cg_endo -74.98 153.97 42.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -65.67 -21.65 66.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.38 -7.73 59.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.1 t -109.18 -27.34 9.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.979 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -60.91 145.16 89.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 67' ' ' ALA . 18.3 Cg_endo -74.98 171.77 17.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.481 1.78 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' PRO . . . -40.0 -47.41 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.6 t -155.93 140.08 16.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.389 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.26 -175.87 29.87 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.539 ' CD1' ' HD3' ' A' ' 57' ' ' ARG . 58.1 m-85 -77.05 162.12 70.96 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.41 0.712 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.501 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.01 139.01 23.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.7 mt -88.82 149.56 43.95 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.508 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.03 168.43 24.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.508 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.02 164.73 87.73 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.963 -2.515 . . . . 0.0 111.023 0.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -134.42 110.44 9.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.421 HG21 ' N ' ' A' ' 77' ' ' PHE . 2.7 mp -82.96 139.02 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.545 ' CE2' ' HB2' ' A' ' 82' ' ' TYR . 11.1 m-85 -146.88 129.04 15.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.516 ' O ' ' N ' ' A' ' 80' ' ' SER . 24.7 t-20 -83.52 96.82 8.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 65.92 -62.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -143.51 -38.3 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 109.985 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.2 162.9 26.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.545 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 3.3 t80 -100.94 141.86 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -111.72 -55.12 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.506 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 176.92 -176.96 48.23 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -112.99 179.65 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -39.9 -37.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.976 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.83 -58.76 6.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.571 ' HB2' ' CE1' ' A' ' 101' ' ' PHE . . . -60.69 -31.57 70.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.457 ' CD2' HG21 ' A' ' 30' ' ' VAL . 21.1 t80 -64.73 -52.84 54.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.424 ' CE2' ' CD ' ' A' ' 94' ' ' GLU . 43.1 t80 -61.09 -49.38 77.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -54.06 -54.57 37.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.19 -22.64 30.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -81.6 -49.07 10.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.334 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.424 ' CD ' ' CE2' ' A' ' 90' ' ' PHE . 5.6 mt-10 -57.15 -36.97 71.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -86.16 9.88 16.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.9 m120 44.99 62.04 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -153.7 25.46 0.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 101' ' ' PHE . 1.5 t -53.69 -58.64 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.507 ' CE2' ' HD3' ' A' ' 107' ' ' PRO . 12.1 m-85 -42.28 -41.75 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.99 90.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 22.2 t80 -68.57 -10.51 56.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 27.2 mt -112.69 -5.18 13.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.4 ' O ' ' SD ' ' A' ' 8' ' ' MET . . . 73.82 15.06 79.65 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.4 mt -89.54 -174.8 4.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 44.0 m -108.15 151.84 25.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.382 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -102.92 147.26 33.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.507 ' HD3' ' CE2' ' A' ' 99' ' ' TYR . 18.2 Cg_endo -75.04 147.72 34.16 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.536 1.808 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 110.13 3.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.79 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 123.27 -30.12 5.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.402 1.063 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.13 172.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -63.79 -38.85 92.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -55.72 -38.96 70.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.67 -40.19 29.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -63.66 -59.47 4.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 77.8 t -40.88 -49.2 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 53.36 101.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.01 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -164.67 159.26 32.23 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.521 1.138 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 141.03 26.13 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.3 p -58.88 168.36 1.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.4 t -100.24 -58.01 2.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.021 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.426 1.079 . . . . 0.0 110.978 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 m -72.07 117.77 14.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 110.036 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 t -58.25 99.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.022 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.07 59.48 0.54 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -175.08 105.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 0.749 . . . . 0.0 109.98 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -100.72 82.47 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.55 178.76 22.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.11 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.446 ' CE ' ' HA3' ' A' ' 103' ' ' GLY . 37.8 mtp -119.95 90.34 3.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.447 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 1.3 t -75.04 151.18 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 42' ' ' GLU . 17.1 mm -118.45 104.28 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 77' ' ' PHE . 42.4 mtt180 -101.1 125.74 47.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.261 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.9 t -107.32 130.11 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 22.2 m-85 -99.9 95.36 6.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.0 pt -105.06 164.96 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -113.88 65.54 0.66 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 15' ' ' ALA . 30.3 t -37.65 138.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.046 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.32 28.67 4.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.983 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.7 t -60.31 169.38 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.051 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.97 53.87 0.56 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -173.05 100.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.957 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -41.22 -32.78 0.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.03 -57.74 10.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.415 HG22 ' NE2' ' A' ' 27' ' ' GLN . 3.9 mt -55.98 -60.05 2.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' ILE . 7.8 mtpt -39.95 -55.36 2.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.113 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -59.22 -64.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -40.59 -57.87 1.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.415 ' NE2' HG22 ' A' ' 23' ' ' ILE . 30.9 mt-30 -51.58 -57.71 8.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -57.63 -21.31 38.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 25' ' ' LYS . 5.0 t70 -78.33 -33.66 49.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.476 HG23 ' CD2' ' A' ' 89' ' ' PHE . 77.5 t -82.0 -31.83 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.7 mt -79.24 -54.25 6.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.235 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.52 -37.44 19.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.445 ' CZ ' HG12 ' A' ' 98' ' ' VAL . 59.8 t80 -64.42 -53.0 55.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 0.74 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.559 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 28.7 mt -63.26 -18.78 63.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -85.22 -44.73 12.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.64 -32.49 71.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -87.3 5.1 40.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 45.27 48.07 10.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.5 mt -86.52 151.48 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.75 70.56 3.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.549 1.155 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 28.4 p90 -106.61 176.19 5.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 10' ' ' ILE . 2.7 mm-40 -133.64 151.21 51.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -106.32 118.42 36.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.352 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -116.26 105.23 12.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -80.61 123.11 27.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.423 ' HB ' ' CG ' ' A' ' 53' ' ' ARG . 22.5 pt -93.7 -11.95 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.09 50.32 1.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -175.12 -67.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -93.83 90.81 6.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -50.72 -45.26 58.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' GLU . 11.2 pt-20 -36.35 -41.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -68.91 -55.67 10.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.423 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 31.3 ttt180 -56.64 -46.04 81.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -58.85 -67.68 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.584 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 89.0 t90 -45.48 -53.76 8.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 108.011 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.569 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 5.8 ttp -54.87 -40.42 69.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -64.58 -32.74 74.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -83.12 -20.47 34.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.584 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.0 OUTLIER -81.41 -55.65 4.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.454 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 76.4 t -44.31 128.63 4.67 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 154.27 42.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.489 1.783 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -64.57 -38.09 89.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -65.91 -11.46 47.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 32.7 m -110.45 -19.11 13.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 -65.7 163.96 30.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.417 ' C ' ' N ' ' A' ' 68' ' ' THR . 18.2 Cg_endo -75.04 164.5 33.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.573 1.828 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.33 -28.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.417 ' N ' ' C ' ' A' ' 66' ' ' PRO . 11.9 t -170.28 144.23 2.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.45 171.66 47.96 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.482 1.113 . . . . 0.0 110.984 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -61.6 161.69 19.09 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.454 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.4 Cg_endo -75.02 122.79 7.41 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.557 1.82 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.8 mt -82.3 150.24 63.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.487 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.1 Cg_endo -75.01 167.26 27.42 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.488 1.783 . . . . 0.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.487 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.5 Cg_endo -74.97 166.77 82.37 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.004 -2.498 . . . . 0.0 111.005 -0.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 -138.23 110.77 7.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 89' ' ' PHE . 2.7 mp -76.48 127.19 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.414 ' CZ ' ' HD2' ' A' ' 82' ' ' TYR . 1.8 m-85 -141.98 130.73 22.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' SER . 18.6 t-20 -102.59 98.35 8.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 62.82 -76.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.27 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -141.4 12.95 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.982 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 82' ' ' TYR . 4.1 tt0 -112.12 142.56 44.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.453 ' N ' ' HG3' ' A' ' 81' ' ' GLN . 9.9 t80 -95.82 115.22 27.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.669 HH21 ' N ' ' A' ' 103' ' ' GLY . 11.5 mmm180 -86.98 -53.1 5.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.427 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 169.43 -162.6 36.19 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.122 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -121.5 -171.43 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -44.93 -37.22 3.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.14 -55.24 34.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.572 ' HB1' ' CZ ' ' A' ' 101' ' ' PHE . . . -62.65 -34.02 76.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.257 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.476 ' CD2' HG23 ' A' ' 30' ' ' VAL . 10.7 t80 -63.33 -37.53 87.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -77.27 -50.77 12.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -53.32 -56.11 19.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.66 -25.66 28.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 42.9 ttp85 -78.85 -44.36 23.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.58 -38.43 81.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -84.54 7.88 18.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 49.3 53.89 11.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -147.84 37.78 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.445 HG12 ' CZ ' ' A' ' 33' ' ' PHE . 1.4 t -65.07 -60.01 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -42.79 -45.02 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.52 -41.99 96.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.572 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 10.9 t80 -67.32 -11.9 58.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.5 mt -112.7 1.89 15.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.669 ' N ' HH21 ' A' ' 83' ' ' ARG . . . 66.74 21.71 71.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 17.9 mt -97.49 -179.25 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 98.1 m -109.53 145.86 35.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 110.422 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -91.98 150.83 41.24 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 151.58 39.67 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.481 1.78 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 57.36 4.57 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.798 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 170.78 39.52 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.73 -178.82 5.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 110.023 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.45 ' O ' ' CG1' ' A' ' 115' ' ' VAL . 0.0 OUTLIER -69.17 -36.32 77.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -60.46 -36.22 77.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -82.6 -32.22 28.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -73.16 -59.05 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.262 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 111' ' ' LYS . 20.2 m -40.74 102.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.47 160.12 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.168 . . . . 0.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 110.38 99.35 2.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 125.48 9.3 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.555 1.818 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.63 78.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.979 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.18 169.07 10.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.965 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.11 . . . . 0.0 111.04 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -165.86 107.43 0.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 0.733 . . . . 0.0 109.97 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.09 138.93 39.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.56 150.75 20.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.38 119.55 39.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 0.784 . . . . 0.0 109.988 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -145.46 79.14 1.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.047 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.26 -165.08 37.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -162.78 85.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.796 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 t -86.48 137.33 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 42' ' ' GLU . 7.7 mm -100.85 105.13 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -101.3 127.97 47.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -113.7 130.84 67.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.405 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 29.0 m-85 -99.1 97.71 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.1 pt -105.23 168.11 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -115.6 63.65 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 17' ' ' SER . 37.2 t -37.74 128.28 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.9 OUTLIER 83.33 39.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.047 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.39 124.1 30.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.005 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -49.28 -51.66 25.53 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.33 102.61 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 110.005 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.1 m -49.25 -43.1 42.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.363 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.41 -53.53 5.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.7 mt -53.72 -58.53 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 23' ' ' ILE . 41.3 mtmt -40.36 -54.99 2.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -57.6 -62.74 1.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HG2' ' CE2' ' A' ' 86' ' ' TYR . 24.4 mttt -40.59 -59.11 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -51.15 -49.06 61.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -63.61 -27.79 69.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 25' ' ' LYS . 17.1 t0 -70.96 -30.34 66.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.7 t -81.54 -30.76 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.1 mt -79.18 -54.24 6.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.54 -42.63 35.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.483 ' CZ ' HG13 ' A' ' 98' ' ' VAL . 38.8 t80 -61.05 -54.84 39.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 0.771 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.567 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 43.1 mt -60.09 -25.4 65.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -79.73 -41.4 26.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.297 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.46 -25.97 60.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -91.73 4.38 52.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt 48.09 48.33 18.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.47 ' CD1' HD23 ' A' ' 34' ' ' LEU . 74.7 mt -92.86 146.94 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.64 74.47 2.35 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 47.9 p90 -103.73 175.95 5.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.6 mm-40 -130.56 150.4 51.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -105.11 111.22 23.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -112.26 118.83 36.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.67 132.43 35.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 14' ' ' ILE . 17.1 pt -104.68 -21.63 5.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.5 -57.95 8.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.73 -86.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -43.63 114.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -54.71 5.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 9.8 pt-20 -39.45 -47.49 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.257 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.476 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 9.8 m-20 -58.17 -50.39 73.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.44 ' CB ' ' HB ' ' A' ' 46' ' ' ILE . 12.5 ttt180 -63.54 -53.3 54.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 110.348 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 55' ' ' TRP . 1.7 ttmm -56.51 -64.85 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.607 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 92.2 t90 -41.93 -61.57 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 107.987 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.46 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 2.2 ttp -43.69 -48.27 7.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.562 ' NE ' ' CG ' ' A' ' 70' ' ' TYR . 0.7 OUTLIER -59.0 -39.28 81.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.31 -13.32 60.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.607 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 2.1 m-80 -94.79 -51.58 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.489 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 16.3 t -40.22 132.22 1.6 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.421 ' HD3' ' CG ' ' A' ' 82' ' ' TYR . 18.5 Cg_endo -74.89 154.39 43.04 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -59.88 -45.11 93.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -58.12 -17.02 15.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.6 t -98.9 -30.26 12.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -62.02 147.18 90.72 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 168.81 24.01 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.535 1.808 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -40.18 -51.62 2.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.1 t -147.43 145.95 29.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.95 -173.82 36.76 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.555 1.16 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.562 ' CG ' ' NE ' ' A' ' 57' ' ' ARG . 81.5 m-85 -83.44 163.13 51.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.489 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.97 129.53 12.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.5 mt -83.41 151.1 61.74 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.505 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.03 168.4 24.89 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.505 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.1 Cg_endo -75.0 170.24 72.38 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.942 0.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -139.96 112.15 7.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.424 HG21 ' N ' ' A' ' 77' ' ' PHE . 3.0 mp -82.35 139.05 18.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.553 ' CE1' ' HB2' ' A' ' 82' ' ' TYR . 11.4 m-85 -146.83 128.8 15.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' A' ' 80' ' ' SER . 23.2 t-20 -86.08 96.35 9.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 66.5 -59.79 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -145.78 -37.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.99 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 160.97 29.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.553 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 1.9 t80 -100.85 141.01 34.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -108.86 -59.91 1.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.461 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . -178.49 -176.13 46.15 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -110.33 -176.82 3.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.455 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 3.2 t80 -45.11 -36.94 3.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -61.47 -51.93 66.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.565 ' HB1' ' CZ ' ' A' ' 101' ' ' PHE . . . -65.12 -32.21 73.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -65.57 -41.1 93.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -70.58 -46.68 63.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -58.87 -52.41 65.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.14 -23.74 56.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -75.01 -54.01 7.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -54.08 -36.76 63.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -83.02 5.59 21.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 47.71 38.79 9.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -128.57 29.55 5.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.483 HG13 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -56.82 -58.14 6.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -42.56 -42.35 3.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.71 93.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.565 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 18.8 t80 -70.45 -9.48 56.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.411 ' CD1' HG12 ' A' ' 98' ' ' VAL . 22.6 mt -113.62 1.59 14.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 65.3 27.4 72.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.0 mt -101.39 -178.02 3.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 88.8 m -110.44 143.84 40.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.417 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -98.2 148.85 35.08 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 147.3 33.73 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.48 1.779 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 119.21 5.56 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 117.04 -31.12 5.99 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.21 170.69 5.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 110.013 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -51.49 69.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -42.41 -46.36 4.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -72.08 -44.11 63.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -58.81 -67.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.2 p -44.32 -36.47 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.1 143.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -173.81 -173.46 39.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.132 . . . . 0.0 110.998 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 169.62 22.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.524 1.802 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.71 -59.67 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.965 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.5 t -57.63 -57.55 12.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -152.64 166.66 31.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 110.023 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.82 128.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.64 175.31 23.26 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.67 115.21 9.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 110.004 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.54 150.39 28.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 110.039 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.91 120.75 2.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.3 mtm 61.21 85.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 t -80.53 136.55 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 42' ' ' GLU . 7.6 mm -101.93 104.97 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.2 mtt-85 -101.09 123.69 45.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -107.12 129.84 60.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 16.2 m-85 -98.07 97.67 9.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.0 pt -105.18 173.55 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.53 64.69 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 17' ' ' SER . 29.5 t -38.38 122.32 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.939 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.3 OUTLIER 84.8 38.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.014 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.28 147.47 38.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.16 55.84 3.24 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.542 1.151 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -173.05 97.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.963 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.2 m -40.66 -44.91 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.409 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.4 -54.32 6.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.8 mt -59.91 -59.75 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ILE . 43.6 mtmt -40.17 -54.3 2.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.03 -63.23 1.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.546 ' HG2' ' CE2' ' A' ' 86' ' ' TYR . 22.2 mttt -40.79 -58.41 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -50.6 -45.04 57.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -66.8 -35.94 81.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -63.44 -29.28 70.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.8 t -81.46 -36.96 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.6 mt -73.82 -54.66 7.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.03 -42.46 23.31 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.423 ' CE2' HG13 ' A' ' 98' ' ' VAL . 56.4 t80 -62.01 -56.19 21.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.777 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.567 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 46.0 mt -59.51 -23.35 62.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -82.38 -44.47 16.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.16 -30.23 69.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -89.28 1.73 55.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 mttp 49.57 54.8 10.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.461 ' CD1' HD21 ' A' ' 34' ' ' LEU . 48.3 mt -96.16 148.62 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.29 71.77 2.77 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 49.9 p90 -102.39 176.32 5.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 0.788 . . . . 0.0 111.048 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.3 mm-40 -131.11 151.02 51.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -105.08 111.82 24.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -112.84 118.6 35.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -90.46 137.83 32.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 14' ' ' ILE . 17.3 pt -110.56 -17.61 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.41 -54.77 23.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.72 -73.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.94 126.13 28.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -49.36 7.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 52' ' ' ASN . 16.1 pt-20 -38.39 -50.38 1.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 110.349 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.424 ' O ' ' CB ' ' A' ' 56' ' ' MET . 9.7 m-20 -53.02 -53.69 46.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -60.58 -55.53 32.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -53.4 -65.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.427 ' CZ3' ' OH ' ' A' ' 13' ' ' TYR . 83.1 t90 -45.81 -60.48 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.569 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 5.7 ttp -45.16 -48.73 12.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.559 ' NE ' ' CD1' ' A' ' 70' ' ' TYR . 11.9 mtp180 -56.82 -41.77 78.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -69.94 -19.16 63.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 2.7 m-80 -88.88 -47.41 8.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.477 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 37.9 t -43.89 132.45 4.1 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 151.66 39.94 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.461 1.769 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -64.42 -33.91 76.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -71.28 -7.8 49.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.1 m -112.6 -20.37 11.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -65.33 143.75 98.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -162.11 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.789 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -98.19 -45.77 6.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -45.27 -80.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.392 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -154.97 -91.31 0.08 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.559 ' CD1' ' NE ' ' A' ' 57' ' ' ARG . 27.7 m-85 -90.59 163.25 31.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.477 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.99 131.22 14.06 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.799 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.5 mt -87.33 151.42 51.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.499 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.1 Cg_endo -75.04 167.93 25.92 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.45 1.763 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.499 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.02 155.78 99.94 Favored 'Cis proline' 0 C--N 1.361 1.196 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.006 0.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -125.93 110.32 13.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.371 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 77' ' ' PHE . 2.6 mp -83.62 138.86 18.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 56' ' ' MET . 11.3 m-85 -145.39 129.47 17.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.521 ' O ' ' N ' ' A' ' 80' ' ' SER . 20.2 t-20 -84.93 96.83 9.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 65.93 -61.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -145.18 -38.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.05 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.47 163.23 21.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.497 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 14.6 t80 -97.51 149.11 22.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -119.04 -55.68 2.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.497 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 171.01 -174.14 44.74 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.2 p-10 -113.56 177.69 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.275 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.546 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -40.21 -35.46 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 111.056 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.94 -54.34 46.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.574 ' HB2' ' CE1' ' A' ' 101' ' ' PHE . . . -64.37 -34.23 77.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -61.85 -50.78 70.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -60.85 -49.47 77.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -56.27 -54.51 44.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.252 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.29 -23.83 25.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.43 ' N ' HG23 ' A' ' 98' ' ' VAL . 15.4 ttp180 -77.49 -54.4 6.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.75 -37.75 63.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -85.84 9.95 15.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 42.42 57.55 3.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -143.87 17.8 1.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -48.06 -58.65 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -40.98 -45.5 2.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.88 95.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 17.0 t80 -67.38 -9.33 40.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.464 ' CD1' HG12 ' A' ' 98' ' ' VAL . 27.2 mt -113.19 -1.45 14.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.85 21.2 76.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.7 mt -95.3 -174.75 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 97.9 m -113.31 145.6 40.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.374 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -95.65 150.98 38.18 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 146.62 32.67 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.811 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 77.8 3.04 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.518 1.799 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 140.13 49.86 0.05 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 113' ' ' ALA . 0.6 OUTLIER -148.12 162.47 39.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 110.031 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.17 -52.55 9.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -48.36 -34.21 10.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 110' ' ' SER . . . -82.71 -46.56 13.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 115' ' ' VAL . 57.0 mm-40 -62.36 -70.41 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.251 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' GLU . 39.4 t 40.01 73.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 29.9 t -150.12 108.07 3.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 164.95 -167.69 38.78 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 112.31 3.53 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.47 1.774 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 76.4 p -157.49 157.79 34.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.7 p -119.6 -57.37 1.98 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.962 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -91.97 90.28 7.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 110.012 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.18 163.94 11.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.97 122.0 1.27 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.82 141.83 50.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.783 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.02 138.48 38.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.77 -155.07 6.54 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.6 ptt? -164.19 85.06 0.45 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 0.767 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.1 t -85.07 140.45 15.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' GLU . 10.2 mm -105.2 104.92 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 77' ' ' PHE . 34.2 mtt180 -101.22 129.68 47.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.6 t -116.31 133.3 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 7.5 m-85 -103.2 98.64 8.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.0 pt -105.12 169.97 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.13 65.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.475 ' O ' ' CB ' ' A' ' 17' ' ' SER . 29.9 t -38.36 124.14 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 16' ' ' SER . 1.0 OUTLIER 83.61 46.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.027 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.84 125.48 33.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.87 -49.0 13.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -70.92 126.97 31.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.791 . . . . 0.0 110.041 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 m -67.84 -40.34 83.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.385 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.14 -57.25 4.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.0 mt -51.32 -59.88 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -43.26 -44.41 5.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -67.98 -62.37 1.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -40.75 -59.08 1.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -49.01 -46.92 44.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.326 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -65.24 -30.03 70.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -68.85 -30.7 69.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.0 t -81.68 -38.22 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.2 mt -71.54 -56.65 5.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -46.11 -43.78 13.71 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.522 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 33.6 t80 -61.06 -56.54 19.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 0.795 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.564 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 64.5 mt -58.79 -21.58 56.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -83.43 -41.84 17.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.45 -26.9 62.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -91.94 9.25 33.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm 43.28 50.15 5.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.464 ' CD1' HD22 ' A' ' 34' ' ' LEU . 71.7 mt -93.07 145.26 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.01 77.4 2.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.451 1.095 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 51.1 p90 -107.22 176.17 5.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.9 OUTLIER -129.8 149.97 51.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -106.57 114.91 29.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 14' ' ' ILE . 11.8 mmmt -114.78 115.38 26.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -87.07 133.39 33.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 14' ' ' ILE . 20.0 pt -107.65 -14.35 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.88 -44.18 93.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.61 -72.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -56.4 122.98 13.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.03 -56.88 3.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.477 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 9.4 pt-20 -38.88 -47.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.477 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 9.0 m-20 -54.06 -60.18 3.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.475 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 38.5 ttt180 -55.44 -57.45 11.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 1.3 ttmm -49.88 -68.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.588 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 89.7 t90 -43.75 -55.52 4.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 108.033 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.595 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 3.8 ttp -48.07 -46.41 33.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.428 ' NE ' ' CD1' ' A' ' 70' ' ' TYR . 9.6 mtt180 -60.46 -42.33 95.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.12 -17.02 63.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.588 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.6 m-80 -90.83 -53.11 4.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.454 HG23 ' CG ' ' A' ' 71' ' ' PRO . 25.2 t -40.56 129.63 1.8 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.39 36.61 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.47 -20.34 66.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -81.56 -9.78 59.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 m -111.35 -23.88 10.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -55.95 158.72 6.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.271 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.415 ' C ' ' N ' ' A' ' 68' ' ' THR . 18.3 Cg_endo -74.97 170.99 19.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 110.989 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.94 -26.25 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.415 ' N ' ' C ' ' A' ' 66' ' ' PRO . 3.2 t -175.33 147.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.65 -165.18 32.06 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.428 ' CD1' ' NE ' ' A' ' 57' ' ' ARG . 79.2 m-85 -81.12 162.55 58.92 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.459 0.741 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.454 ' CG ' HG23 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.98 115.26 4.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.469 1.773 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.8 mt -74.94 149.22 85.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.501 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.03 168.04 25.7 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.559 1.821 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.501 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -74.99 170.63 71.33 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.986 0.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.497 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 56.4 mm-40 -143.09 111.35 6.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 110.29 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.2 mp -82.97 135.16 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.595 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 55.8 m-85 -141.83 128.96 20.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 80' ' ' SER . 34.1 t-20 -86.44 97.38 10.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 66.39 -66.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -141.02 -36.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.996 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.53 171.23 6.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.508 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 6.7 t80 -108.64 145.31 35.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -113.26 -59.05 2.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.508 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 175.27 176.54 43.62 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -102.39 179.65 4.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.438 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.1 t80 -41.82 -37.47 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -58.17 8.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.567 ' HB2' ' CE1' ' A' ' 101' ' ' PHE . . . -60.61 -29.63 69.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.544 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 6.8 t80 -68.94 -34.91 76.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 90' ' ' PHE . 3.3 t80 -76.28 -48.37 20.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.432 ' HA ' ' CG ' ' A' ' 94' ' ' GLU . 17.0 tt0 -56.0 -33.62 65.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . -79.25 -17.63 54.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -86.53 -51.42 6.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.432 ' CG ' ' HA ' ' A' ' 91' ' ' GLU . 0.3 OUTLIER -55.61 -34.78 65.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.357 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -88.48 9.29 24.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.339 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 47.22 53.31 10.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -142.25 24.74 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.522 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -53.1 -59.19 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -40.7 -45.19 2.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.87 -44.56 95.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 23.8 t80 -66.45 -8.51 26.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.455 ' CD1' HG13 ' A' ' 98' ' ' VAL . 19.4 mt -114.92 -0.83 13.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.54 18.99 74.25 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.8 mt -93.53 -173.86 3.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 0.751 . . . . 0.0 109.274 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 54.8 m -114.16 150.1 34.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.36 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -101.41 146.78 32.8 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.61 34.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 109.72 2.98 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 125.26 -27.58 5.28 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.473 1.108 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.26 175.82 3.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 0.803 . . . . 0.0 110.006 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -42.99 82.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -52.72 -25.36 10.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -94.11 -44.26 8.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -57.17 -67.15 0.35 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 110.305 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.8 t 41.14 89.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.244 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.8 t -152.14 99.01 2.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.967 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -139.74 -156.28 6.88 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -53.55 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.3 p -166.26 165.19 17.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 29.5 t -120.48 143.49 48.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.15 . . . . 0.0 110.974 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -174.27 97.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 0.741 . . . . 0.0 109.951 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 p -145.46 149.03 33.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.973 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.35 -178.79 17.55 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -154.57 151.75 29.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.78 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -117.1 -61.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.25 178.76 32.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' A' ' 103' ' ' GLY . 90.3 mtp -131.1 84.61 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.766 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.435 ' CG1' ' OE2' ' A' ' 42' ' ' GLU . 0.9 OUTLIER -76.41 142.79 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 42' ' ' GLU . 9.4 mm -104.66 108.32 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.451 ' NH2' ' OH ' ' A' ' 13' ' ' TYR . 26.9 mtp180 -100.58 126.7 47.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.7 t -113.49 126.71 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 4.0 m-85 -100.64 98.07 8.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' LYS . 2.4 pt -105.29 179.65 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -126.66 67.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 15' ' ' ALA . 13.3 t -33.94 -44.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.017 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.465 ' CB ' ' HB2' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -91.99 69.54 5.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.57 -171.4 1.9 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -146.34 41.1 1.01 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.544 1.152 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -156.62 111.5 2.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 110.02 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 m -46.32 -47.56 18.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.383 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.33 -57.56 2.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mt -55.14 -63.78 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -40.25 -50.52 2.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -60.57 -65.5 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HD3' ' CD1' ' A' ' 86' ' ' TYR . 31.4 mttt -40.39 -56.78 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -51.43 -52.45 46.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -63.67 -22.69 67.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 25' ' ' LYS . 1.6 t70 -76.66 -32.84 58.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.451 HG23 ' CD2' ' A' ' 89' ' ' PHE . 79.4 t -81.04 -31.24 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 78.8 mt -79.42 -54.37 5.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.64 -37.42 13.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.509 ' CE2' HG12 ' A' ' 98' ' ' VAL . 68.8 t80 -64.44 -58.24 6.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.535 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 22.7 mt -57.29 -19.15 20.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -86.06 -48.46 8.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.97 -30.71 70.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -88.11 2.87 51.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.588 1.18 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm 50.2 42.22 25.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.7 mt -83.88 152.99 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.05 81.92 1.29 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.535 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 31.0 p90 -115.75 175.66 5.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.2 mt-10 -133.41 138.15 46.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -92.62 114.65 27.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 14' ' ' ILE . 5.9 mmmt -115.06 120.43 39.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -93.45 127.52 39.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.9 pt -94.1 -21.68 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.465 ' HB2' ' CB ' ' A' ' 17' ' ' SER . . . -84.2 50.7 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -175.12 -55.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -98.67 84.52 3.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.56 -46.75 14.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 13.6 pt-20 -40.38 -47.47 2.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 56' ' ' MET . 5.5 m-20 -61.9 -59.36 5.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -52.25 -48.31 65.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.358 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 2.9 tttp -58.93 -73.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.239 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.614 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 84.9 t90 -43.5 -52.33 6.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 108.009 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.589 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 4.9 ttp -53.79 -40.31 66.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.64 ' NE ' ' CE1' ' A' ' 70' ' ' TYR . 11.0 mtp180 -66.99 -32.3 73.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.84 -13.68 57.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.614 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.0 OUTLIER -90.03 -52.8 4.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.47 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 25.1 t -39.7 132.6 1.39 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.11 37.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.511 1.795 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -66.95 -13.27 61.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 110.26 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -88.56 -9.42 52.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 m -111.22 -22.97 11.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.01 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -55.66 157.56 7.34 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.247 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 175.51 11.14 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.779 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.16 -24.45 18.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -175.08 138.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.372 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.13 173.91 43.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.64 ' CE1' ' NE ' ' A' ' 57' ' ' ARG . 61.5 m-85 -59.29 161.31 10.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.767 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.47 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.96 123.68 8.09 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.53 1.805 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.3 mt -77.08 149.94 80.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.509 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.01 168.87 23.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.794 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.509 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -74.99 172.64 62.0 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.987 -2.506 . . . . 0.0 111.01 -0.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -143.15 110.69 5.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.341 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 77' ' ' PHE . 3.3 mt -84.75 137.8 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.589 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 43.2 m-85 -143.47 128.96 19.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' A' ' 80' ' ' SER . 18.8 t-20 -84.3 96.36 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 66.06 -58.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.3 OUTLIER -148.98 -40.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.72 162.79 12.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.412 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 6.5 t80 -99.46 138.45 36.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -109.95 -62.2 1.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.35 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -179.78 -178.02 48.24 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.587 1.179 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 88' ' ' ALA . 36.2 p-10 -113.99 178.01 4.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.461 ' CD1' ' HD3' ' A' ' 26' ' ' LYS . 1.7 t80 -39.03 -36.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.33 -53.97 49.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 101' ' ' PHE . . . -64.69 -35.69 81.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.451 ' CD2' HG23 ' A' ' 30' ' ' VAL . 16.4 t80 -58.82 -47.78 83.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -64.43 -53.06 54.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -52.12 -56.62 13.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.17 -27.2 44.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.8 ttp85 -74.43 -51.51 14.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -52.01 -39.65 59.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -87.6 11.97 13.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 42.45 53.21 4.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -133.98 11.86 3.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.509 HG12 ' CE2' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -42.46 -62.96 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.525 ' CE2' ' HD3' ' A' ' 107' ' ' PRO . 14.8 m-85 -41.54 -47.57 3.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.12 95.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 88' ' ' ALA . 9.2 t80 -70.1 -12.41 61.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.99 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.437 ' CD1' HG11 ' A' ' 98' ' ' VAL . 31.0 mt -111.22 2.75 17.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.402 ' O ' ' SD ' ' A' ' 8' ' ' MET . . . 66.84 15.57 64.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 17.8 mt -91.42 -176.91 4.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.785 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 86.2 m -111.98 145.49 39.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.386 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -88.74 147.26 38.83 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.525 ' HD3' ' CE2' ' A' ' 99' ' ' TYR . 18.6 Cg_endo -74.98 147.07 33.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 111.038 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 81.53 2.2 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.522 1.801 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 136.64 45.23 0.09 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.35 164.79 29.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 110.004 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.86 -54.21 8.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -47.72 -39.46 17.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.98 -47.2 19.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -54.73 -69.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 25.4 t 40.12 85.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.87 104.65 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.011 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -156.21 -151.53 5.96 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.533 1.146 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 58.05 4.77 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.5 1.789 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 61.6 m 46.94 76.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.049 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.86 127.77 6.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.0 110.973 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.5 p -139.28 93.35 2.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 0.749 . . . . 0.0 109.983 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.18 166.4 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.034 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.58 101.63 0.16 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.68 98.45 9.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.763 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -165.67 161.81 18.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.038 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' C ' ' CG ' ' A' ' 8' ' ' MET . . . -134.5 106.31 0.59 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.437 ' CG ' ' C ' ' A' ' 7' ' ' GLY . 3.0 ptt? 35.47 83.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 0.752 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -85.91 150.68 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 42' ' ' GLU . 11.7 mm -117.21 106.78 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.453 ' NH2' ' OH ' ' A' ' 13' ' ' TYR . 29.4 mtp180 -100.15 123.43 44.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.2 t -108.04 126.67 64.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.335 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 4.2 m-85 -101.01 100.41 11.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' LYS . 2.6 pt -104.8 164.25 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -109.43 62.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 15' ' ' ALA . 30.2 t -37.36 135.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.42 37.49 1.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.975 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.6 t -76.7 149.52 36.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.936 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.32 59.7 2.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -177.53 101.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 m -43.52 -44.03 5.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.436 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.04 -57.69 2.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.416 HG21 ' NE2' ' A' ' 27' ' ' GLN . 3.7 mt -55.19 -62.35 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' ILE . 38.0 mtmt -39.11 -59.51 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -54.54 -62.59 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -42.28 -58.51 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.416 ' NE2' HG21 ' A' ' 23' ' ' ILE . 31.2 mt-30 -51.5 -45.3 62.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -68.76 -22.47 64.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 25' ' ' LYS . 2.9 t70 -76.29 -31.55 58.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.445 HG21 ' CG ' ' A' ' 74' ' ' PRO . 75.8 t -81.81 -35.55 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.9 mt -74.05 -56.41 4.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -45.94 -45.56 14.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.452 ' CZ ' HG13 ' A' ' 98' ' ' VAL . 50.7 t80 -59.51 -58.34 9.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 0.758 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.559 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 64.8 mt -55.82 -23.12 28.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -82.29 -42.25 19.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.33 -26.17 61.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -92.3 6.66 46.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm 44.26 50.23 7.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.475 ' CD1' HD22 ' A' ' 34' ' ' LEU . 97.0 mt -92.21 147.46 5.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.26 77.05 2.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 45.7 p90 -109.66 176.43 5.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.3 mm-40 -132.79 149.67 52.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.318 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -104.96 117.82 34.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 14' ' ' ILE . 4.8 mmmt -118.82 121.9 41.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -91.55 126.5 36.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.426 ' HB ' ' CG ' ' A' ' 53' ' ' ARG . 30.4 pt -97.0 -19.31 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.44 -58.26 9.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.12 -76.45 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -49.74 114.87 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.78 -53.26 6.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 52' ' ' ASN . 13.4 pt-20 -40.41 -52.16 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.42 ' ND2' ' HB3' ' A' ' 44' ' ' LYS . 14.3 m-20 -53.24 -58.98 5.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.426 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 45.4 ttt180 -55.05 -55.78 27.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 1.7 tttp -52.53 -68.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.607 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 76.0 t90 -44.17 -50.69 8.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 107.979 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.572 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 6.9 ttp -53.56 -49.75 67.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.572 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 81.5 mtm180 -60.67 -24.53 65.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -89.37 -22.3 22.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.607 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.5 m-80 -83.72 -48.17 10.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.485 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 25.3 t -40.75 133.31 1.74 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 150.0 37.8 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.53 1.805 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -66.07 -17.75 64.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -85.49 -6.76 59.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.8 m -117.86 -8.48 10.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 57' ' ' ARG . 14.6 mtt180 -73.17 143.56 83.61 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -162.24 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.537 1.809 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -109.8 -46.54 3.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -48.41 -54.69 13.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.399 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -170.12 -122.94 0.66 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 57' ' ' ARG . 30.1 m-85 -75.47 167.17 39.17 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 110.954 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.485 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.04 135.16 18.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.4 mt -96.23 154.53 38.74 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.503 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.0 168.04 25.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.803 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.503 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -74.96 155.15 99.99 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.988 -0.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -125.28 111.63 15.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.7 mp -83.9 128.11 39.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 7.9 m-85 -136.13 129.6 32.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 80' ' ' SER . 18.3 t-20 -90.12 98.45 11.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 57.49 -84.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.233 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -122.68 -4.99 8.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -101.68 166.82 10.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.437 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 19.4 t80 -111.28 151.54 28.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -119.56 -62.65 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.437 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 176.66 -170.07 42.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -113.37 -175.96 2.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 0.751 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.414 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.0 OUTLIER -44.74 -32.82 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.76 -59.51 4.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.548 ' HB1' ' CE1' ' A' ' 101' ' ' PHE . . . -59.7 -34.05 72.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -62.09 -52.29 64.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -61.06 -48.02 83.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -58.18 -53.25 60.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.71 -23.13 27.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.409 ' N ' HG23 ' A' ' 98' ' ' VAL . 22.1 ttp180 -80.25 -45.19 18.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -61.1 -40.06 92.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -81.0 2.9 24.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 52.88 51.75 15.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -143.16 31.93 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 101' ' ' PHE . 1.0 OUTLIER -59.59 -62.18 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.281 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.44 ' CE2' ' HD3' ' A' ' 107' ' ' PRO . 7.8 m-85 -40.17 -43.17 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.12 -44.97 86.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.548 ' CE1' ' HB1' ' A' ' 88' ' ' ALA . 17.9 t80 -64.48 -10.54 26.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 30.9 mt -112.48 -1.17 15.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.45 21.78 76.19 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.5 mt -96.11 -177.66 4.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 83.5 m -108.88 146.57 33.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.433 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.456 ' CB ' ' HB3' ' A' ' 112' ' ' GLU . . . -94.91 148.41 34.69 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.44 ' HD3' ' CE2' ' A' ' 99' ' ' TYR . 18.2 Cg_endo -74.94 147.05 33.66 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.491 1.785 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 81.07 2.31 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.54 1.811 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 136.31 47.61 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 111' ' ' LYS . 0.5 OUTLIER -145.56 164.13 32.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 110.006 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 110' ' ' SER . 0.4 OUTLIER -40.24 -56.47 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.456 ' HB3' ' CB ' ' A' ' 106' ' ' ALA . 0.5 OUTLIER -45.91 -53.15 10.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 110.26 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.91 -50.48 70.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 115' ' ' VAL . 74.5 mm-40 -54.4 -71.8 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' GLU . 9.7 t 40.27 84.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.6 t -160.71 141.08 11.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.976 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 142.03 174.78 14.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -55.13 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.9 t -40.58 130.54 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 59.6 p -43.68 142.36 1.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m 39.72 80.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 110.039 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m 64.2 91.05 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 110.002 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.14 155.4 26.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.434 1.084 . . . . 0.0 111.045 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 m -131.62 -59.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 109.987 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 m -76.21 167.38 21.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.956 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.96 -133.93 10.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.432 ' CE ' ' O ' ' A' ' 103' ' ' GLY . 0.5 OUTLIER 39.7 85.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 111.018 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 t -89.86 137.98 20.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 42' ' ' GLU . 8.4 mm -103.06 104.54 16.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -100.83 125.05 47.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.4 t -108.8 135.28 48.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 21.6 m-85 -103.08 94.76 5.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.959 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 44' ' ' LYS . 1.9 pt -104.63 -177.25 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -131.92 71.95 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.165 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 15' ' ' ALA . 6.6 t -33.44 -45.8 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 110.023 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.434 ' CB ' ' HB1' ' A' ' 47' ' ' ALA . 0.7 OUTLIER -68.89 -71.03 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.029 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 45.51 -170.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.03 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -134.9 -45.12 0.1 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.55 161.91 27.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 0.736 . . . . 0.0 109.998 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 m -89.4 -46.74 8.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.62 -49.26 2.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mt -54.95 -60.99 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -41.19 -48.84 3.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -63.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -40.66 -57.91 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.421 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 29.2 mt-30 -51.76 -43.93 63.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -67.17 -21.89 65.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.254 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -79.01 -33.51 44.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t -80.84 -32.36 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.2 mt -79.0 -54.59 5.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.409 1.068 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.78 -38.79 37.74 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.445 1.09 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -62.7 -55.65 24.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.573 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 23.9 mt -58.64 -22.72 57.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -81.64 -43.03 19.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.252 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.48 -28.07 63.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -90.0 2.5 55.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.257 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt 49.06 52.51 14.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.472 ' CD1' HD21 ' A' ' 34' ' ' LEU . 47.6 mt -95.62 146.73 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.55 75.07 2.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 44.5 p90 -107.95 176.35 5.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -131.24 150.65 52.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -103.29 112.4 25.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 1.135 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' ILE . 13.9 mmmt -113.39 115.0 27.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 47' ' ' ALA . 24.9 t0 -89.82 124.08 34.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.0 pt -89.98 -37.07 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.445 ' N ' ' OD1' ' A' ' 45' ' ' ASP . . . -42.86 -70.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.57 -78.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -61.05 95.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 53' ' ' ARG . 10.6 pt-20 -66.65 -53.02 38.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 15.7 pt-20 -38.34 -41.27 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -57.44 -51.22 70.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.496 ' O ' ' CG ' ' A' ' 57' ' ' ARG . 20.8 ttt180 -63.12 -38.62 91.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -65.92 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.451 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 40.0 t90 -50.08 -58.01 6.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 107.986 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.577 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 3.6 ttp -51.07 -51.52 52.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.647 ' CZ ' ' CG ' ' A' ' 70' ' ' TYR . 36.4 mtt180 -47.99 -35.75 11.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.21 -49.1 24.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 31.6 m-80 -54.55 -51.69 64.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.508 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 44.8 t -38.83 128.82 1.17 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 151.99 40.46 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.512 1.796 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -64.96 -33.74 76.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.345 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -71.32 -7.17 45.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.8 m -116.31 -8.83 11.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -76.38 153.15 83.94 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 167.28 27.4 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.48 1.779 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -40.24 -52.3 2.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.2 t -149.67 149.3 30.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.387 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.83 -165.51 32.05 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.647 ' CG ' ' CZ ' ' A' ' 57' ' ' ARG . 67.7 m-85 -86.48 162.42 45.46 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.451 0.736 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.508 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.02 119.33 5.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.8 mt -73.39 149.03 88.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.502 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -74.95 168.18 25.41 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.502 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.02 167.72 79.6 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.988 0.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -138.31 110.8 7.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.343 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.0 mp -77.88 133.6 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.517 ' CE1' ' HG3' ' A' ' 56' ' ' MET . 5.0 m-85 -142.09 129.6 21.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 80' ' ' SER . 21.4 t-20 -90.25 99.51 12.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 58.37 -82.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -127.57 0.32 6.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -105.17 168.17 9.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.522 ' CD1' ' N ' ' A' ' 83' ' ' ARG . 11.7 t80 -107.39 156.98 18.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.522 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 30.6 mmm180 -128.06 -61.84 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.335 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.483 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 176.27 -174.89 47.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -105.78 -172.71 2.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 0.0 109.349 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.2 t80 -50.46 -33.73 22.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.057 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.87 -56.59 17.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.549 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . . . -61.39 -31.49 71.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.502 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 28.3 t80 -66.67 -43.03 85.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -69.99 -46.74 64.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -58.11 -49.54 76.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.13 -26.22 66.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.414 ' N ' HG22 ' A' ' 98' ' ' VAL . 19.4 ttp180 -72.98 -56.22 5.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -57.13 -33.35 67.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -85.96 9.19 17.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 42.51 57.63 3.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -147.57 21.4 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 101' ' ' PHE . 1.6 t -51.01 -57.47 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -43.36 -41.7 4.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.443 ' O ' ' NH2' ' A' ' 83' ' ' ARG . . . -68.0 -38.97 83.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' A' ' 88' ' ' ALA . 11.3 t80 -71.39 -9.56 58.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 34.1 mt -112.29 -0.03 15.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.432 ' O ' ' CE ' ' A' ' 8' ' ' MET . . . 67.34 23.75 73.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 20.4 mt -96.16 -176.51 3.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.743 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 52.0 m -113.93 142.29 46.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -101.36 150.64 37.37 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 151.62 39.48 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.534 1.807 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 114.8 4.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 116.99 -8.93 16.04 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.15 167.05 20.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 0.744 . . . . 0.0 109.976 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -37.74 86.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -61.14 -27.52 68.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -89.02 -45.8 9.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 115' ' ' VAL . 70.0 mm-40 -58.9 -68.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 114' ' ' GLU . 48.9 t 40.56 89.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.9 t -152.75 -64.67 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -38.25 146.55 0.13 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.536 1.148 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 120.08 5.9 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.496 1.788 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.34 81.69 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.35 151.13 4.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.033 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.147 . . . . 0.0 111.028 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 m 63.61 141.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 0.754 . . . . 0.0 109.983 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.0 t -104.78 162.59 13.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.13 177.95 15.7 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.474 1.109 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 m 61.96 112.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.958 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 p -63.34 133.79 54.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.042 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.83 -94.28 0.1 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.462 ' CE ' ' HA3' ' A' ' 103' ' ' GLY . 12.9 mtp 57.5 90.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 111.053 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 t -72.75 140.78 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 42' ' ' GLU . 9.3 mm -106.49 104.63 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -101.0 128.94 46.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.6 t -114.07 136.85 49.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 23.8 m-85 -104.35 96.37 6.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 44' ' ' LYS . 2.3 pt -104.92 -179.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' SER . . . -128.62 70.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' ALA . 12.5 t -36.28 -45.03 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.974 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.452 ' CB ' ' HB2' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -85.78 48.26 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.6 OUTLIER -87.78 176.7 7.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.19 -56.69 0.21 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.36 118.35 5.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 110.03 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -53.98 -44.03 70.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.41 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.9 -56.6 3.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mt -53.58 -59.3 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -41.07 -52.61 3.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -61.0 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -41.09 -58.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.422 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 30.3 mt-30 -51.46 -46.44 63.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -65.28 -24.23 67.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.323 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -74.79 -31.3 61.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.0 t -81.62 -30.14 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.1 mt -80.36 -54.13 5.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.82 -44.45 24.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.473 ' CE2' HG11 ' A' ' 98' ' ' VAL . 67.0 t80 -60.82 -59.18 5.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.556 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 60.9 mt -55.77 -22.23 23.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -83.79 -47.35 11.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.96 -27.79 68.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -90.32 -0.7 57.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mttt 52.29 46.57 26.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 27.0 mt -88.86 149.17 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.235 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.23 78.22 1.96 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 50.0 p90 -109.83 176.26 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 10' ' ' ILE . 2.9 mm-40 -131.69 150.32 52.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -104.21 112.15 25.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' ILE . 11.8 mmmt -113.09 117.55 32.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -90.91 126.01 35.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.4 pt -94.28 -17.66 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.452 ' HB2' ' CB ' ' A' ' 17' ' ' SER . . . -69.49 -66.51 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' A' ' 49' ' ' ASN . . . -84.84 54.8 3.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 48' ' ' ALA . 0.5 OUTLIER 160.35 100.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 53' ' ' ARG . 1.5 pm0 -73.81 -40.91 63.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -39.2 -42.93 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 56' ' ' MET . 19.8 m-20 -70.33 -44.91 67.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 50' ' ' GLU . 4.2 ttp180 -65.14 -45.64 84.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.17 . . . . 0.0 110.337 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 1.2 ttmm -60.96 -66.35 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.419 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 48.2 t90 -47.41 -59.95 2.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.575 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 7.0 ttp -45.8 -47.53 15.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.642 ' NE ' ' CE1' ' A' ' 70' ' ' TYR . 12.2 mtp180 -58.48 -36.38 73.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.18 -26.61 61.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -82.06 -53.04 6.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.491 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 51.3 t -40.87 128.0 1.95 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 152.7 41.27 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.558 1.82 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -64.1 -30.36 71.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.243 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.03 -13.06 61.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.475 ' OG ' ' CZ ' ' A' ' 82' ' ' TYR . 3.7 m -105.75 -25.33 12.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -60.41 153.94 56.86 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' ALA . 18.2 Cg_endo -75.04 169.3 22.91 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.553 1.817 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' PRO . . . -40.34 -44.42 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.1 t -158.54 142.8 15.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 110.42 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.68 -170.13 26.4 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.642 ' CE1' ' NE ' ' A' ' 57' ' ' ARG . 70.8 m-85 -81.35 161.05 63.6 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.491 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.98 114.58 4.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.543 1.812 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.6 mt -72.37 149.96 91.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.486 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.04 167.35 27.21 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.486 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -75.02 168.78 76.42 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.989 -2.504 . . . . 0.0 111.019 0.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -139.45 111.31 7.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 89' ' ' PHE . 2.8 mp -78.0 129.95 36.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.571 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 1.1 m-85 -138.65 129.74 26.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 80' ' ' SER . 24.4 t-20 -94.44 98.68 11.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 58.24 -81.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -130.8 5.43 4.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.046 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.9 165.17 11.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.48 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 3.1 t80 -110.67 148.49 32.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.42 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 27.7 mmm180 -120.13 -59.2 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.417 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 177.82 -174.32 46.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.133 . . . . 0.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -108.68 -174.98 2.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.442 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.1 t80 -45.66 -34.93 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.1 -56.76 15.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 101' ' ' PHE . . . -61.31 -32.33 72.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.42 ' HB2' ' CD1' ' A' ' 76' ' ' ILE . 8.8 t80 -64.15 -40.36 95.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -73.29 -49.93 24.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -54.49 -55.33 30.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.42 -27.0 33.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -77.38 -43.11 33.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.256 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.47 -37.02 82.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.239 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -86.43 10.92 13.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.1 m120 44.36 58.75 3.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -150.3 27.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.473 HG11 ' CE2' ' A' ' 33' ' ' PHE . 1.4 t -55.51 -61.24 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.553 ' CE2' ' HD3' ' A' ' 107' ' ' PRO . 27.5 m-85 -41.85 -42.84 2.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.84 -41.95 91.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 88' ' ' ALA . 18.3 t80 -67.94 -11.28 58.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 31.3 mt -112.27 1.15 15.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.462 ' HA3' ' CE ' ' A' ' 8' ' ' MET . . . 69.49 14.18 69.09 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.452 1.095 . . . . 0.0 110.963 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.0 mt -89.68 -174.94 4.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 86.7 m -112.6 146.43 38.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.374 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.67 148.75 44.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.553 ' HD3' ' CE2' ' A' ' 99' ' ' TYR . 18.3 Cg_endo -75.0 146.15 32.29 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 76.86 3.26 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 141.88 49.69 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 111' ' ' LYS . 0.6 OUTLIER -149.5 164.31 35.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 110.002 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 115' ' ' VAL . 0.0 OUTLIER -40.34 -59.15 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -42.71 -51.11 5.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -67.16 -42.44 84.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.162 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 115' ' ' VAL . 3.9 mt-10 -60.22 -65.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 114' ' ' GLU . 25.1 m -39.09 132.59 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.9 t -179.33 101.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 143.43 -146.93 18.06 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 129.94 12.84 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.462 1.77 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 84.8 p -149.12 153.02 37.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 65.3 p -154.4 159.25 41.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.935 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.491 1.119 . . . . 0.0 111.057 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -92.8 159.08 15.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.012 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.3 p -171.5 155.01 3.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.68 -151.79 8.73 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t -169.88 153.36 4.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 0.74 . . . . 0.0 110.028 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 m -145.15 113.08 6.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.79 -130.45 2.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 111.042 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.8 mtm 54.99 84.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.787 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 t -80.85 136.16 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 42' ' ' GLU . 8.7 mm -100.81 105.41 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 77' ' ' PHE . 40.4 mtt180 -101.28 126.73 48.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.7 t -113.12 133.79 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.436 ' OH ' ' CZ3' ' A' ' 55' ' ' TRP . 23.4 m-85 -101.9 98.74 8.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.1 pt -105.11 166.09 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -113.14 63.65 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 17' ' ' SER . 41.1 t -38.9 123.57 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.2 OUTLIER 84.58 35.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.004 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 t -76.74 141.45 40.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.964 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.65 60.24 4.84 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 m -174.2 97.97 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.585 0.815 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.0 m -42.26 -42.22 3.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.394 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.7 -52.6 17.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.41 HG21 ' NE2' ' A' ' 27' ' ' GLN . 4.0 mt -60.67 -59.54 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -40.07 -57.29 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -57.8 -61.73 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -41.07 -58.67 1.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.41 ' NE2' HG21 ' A' ' 23' ' ' ILE . 31.2 mt-30 -52.18 -52.42 52.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -61.61 -20.59 63.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 25' ' ' LYS . 8.3 t70 -78.12 -33.59 50.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.0 t -81.33 -32.92 12.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.68 -53.13 7.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.97 -38.1 30.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.425 ' CE2' HG13 ' A' ' 98' ' ' VAL . 50.5 t80 -64.09 -52.48 59.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.572 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 35.0 mt -63.6 -17.65 63.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -87.65 -43.01 12.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.9 -31.0 65.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -88.39 2.28 52.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt 49.05 54.76 10.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.457 ' CD1' HD23 ' A' ' 34' ' ' LEU . 51.0 mt -96.26 149.74 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.93 74.59 2.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 37.9 p90 -108.12 176.17 5.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 0.718 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.6 mm-40 -131.18 150.45 52.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -105.29 110.26 22.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 14' ' ' ILE . 10.9 mmmt -109.99 117.83 34.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.67 130.56 34.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.466 ' HB ' ' CG ' ' A' ' 53' ' ' ARG . 9.0 pt -104.1 -18.04 6.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.63 -70.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.95 -78.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.96 117.33 2.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.93 -51.36 8.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 52' ' ' ASN . 11.7 pt-20 -40.64 -51.32 3.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.412 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 9.6 m-20 -54.11 -54.12 43.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.466 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 34.4 ttt180 -59.27 -54.39 47.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.17 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 55' ' ' TRP . 4.4 tttp -55.19 -65.31 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.603 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 89.0 t90 -41.44 -55.11 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.568 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 1.7 ttp -53.41 -43.77 68.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.454 ' O ' ' NH2' ' A' ' 65' ' ' ARG . 16.4 mtp180 -62.27 -21.19 65.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.275 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -95.41 -19.3 20.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 110.271 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.603 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.7 m-80 -84.43 -51.14 7.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.475 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 40.6 t -39.82 132.87 1.42 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 150.34 38.26 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -66.07 -17.21 64.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.167 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -85.36 -8.61 58.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.7 m -117.33 -8.67 11.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.037 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.454 ' NH2' ' O ' ' A' ' 57' ' ' ARG . 21.3 mtt180 -72.2 146.63 89.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -173.23 1.5 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.497 1.788 . . . . 0.0 111.034 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.2 82.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.8 t -176.76 137.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 70' ' ' TYR . . . 114.59 32.34 1.95 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.447 ' CD1' ' HG2' ' A' ' 57' ' ' ARG . 35.5 m-85 54.97 164.61 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.475 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.5 Cg_endo -74.97 131.8 14.74 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.782 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 73' ' ' PRO . 1.1 pp -92.22 155.2 42.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.238 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.48 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.0 166.85 28.34 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.771 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.48 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.01 160.83 95.98 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.959 -2.517 . . . . 0.0 111.003 0.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -133.91 117.81 17.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 77' ' ' PHE . 2.8 mp -92.02 141.21 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 16.0 m-85 -145.92 128.76 16.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.516 ' O ' ' N ' ' A' ' 80' ' ' SER . 20.3 t-20 -83.51 96.38 8.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 65.93 -61.18 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -144.53 -39.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.003 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.83 162.11 24.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.53 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 14.6 t80 -101.0 140.95 34.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -110.07 -56.7 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.404 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 176.55 -172.18 45.15 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -117.41 -173.02 2.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.75 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.0 OUTLIER -45.56 -35.09 3.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.949 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.27 -54.77 39.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 101' ' ' PHE . . . -64.36 -35.85 82.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -59.15 -47.77 84.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -64.67 -51.95 59.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.048 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -53.42 -57.14 11.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.58 -27.2 15.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.418 ' CA ' HG23 ' A' ' 98' ' ' VAL . 7.6 ttp180 -75.29 -51.89 12.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -51.88 -40.11 60.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -87.74 12.79 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 40.66 54.52 3.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -138.37 15.27 2.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.455 HG12 ' CD1' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -45.44 -54.61 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.461 ' CD2' ' OE2' ' A' ' 112' ' ' GLU . 11.0 m-85 -45.26 -46.73 12.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.12 96.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 88' ' ' ALA . 10.2 t80 -69.97 -10.89 60.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.455 ' CD1' HG12 ' A' ' 98' ' ' VAL . 29.0 mt -112.47 1.74 16.05 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 67.99 15.79 67.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.107 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.4 mt -90.05 -175.74 4.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.75 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 86.9 m -115.43 143.79 44.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -91.63 150.49 41.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 146.5 33.04 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.478 1.778 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 76.92 3.27 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 110.993 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 142.6 49.64 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -149.52 162.52 39.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.757 . . . . 0.0 110.003 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -45.57 -46.37 14.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.461 ' OE2' ' CD2' ' A' ' 99' ' ' TYR . 1.4 mp0 -53.59 -35.94 61.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 110' ' ' SER . . . -84.44 -35.75 22.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.17 -58.8 4.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.2 m -44.69 -28.92 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.2 m -77.69 -65.25 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.021 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -145.16 156.71 27.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.128 . . . . 0.0 111.013 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -48.16 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 111.059 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 42.2 m -90.98 -71.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.57 162.2 26.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 -179.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -95.59 167.06 11.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 109.988 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 m -163.29 101.72 0.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.001 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.91 -128.18 5.8 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 p -126.63 147.4 49.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.776 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.12 139.45 47.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.27 150.45 8.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -164.47 85.48 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 t -88.62 145.73 7.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.44 1.088 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 42' ' ' GLU . 14.5 mm -115.09 105.77 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 -100.91 126.31 47.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.4 t -109.59 132.28 58.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 27.9 m-85 -100.75 96.61 7.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 44' ' ' LYS . 2.3 pt -104.96 -177.65 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 18' ' ' SER . . . -128.98 68.61 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' ALA . 15.5 t -36.7 -44.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -87.2 48.88 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.979 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -92.09 178.5 5.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.51 -50.48 0.17 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -57.99 109.71 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 0.79 . . . . 0.0 109.985 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 m -48.06 -45.08 31.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.41 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.95 -56.7 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.6 mt -50.23 -60.64 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ILE . 37.7 mtmt -39.56 -60.64 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.08 -61.16 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -43.02 -58.28 2.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.439 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 30.8 mt-30 -52.13 -49.52 63.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -63.11 -21.96 66.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -76.96 -34.02 57.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.4 t -81.63 -33.42 12.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.02 -53.52 6.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -51.36 -39.31 43.52 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.507 ' CE1' HG13 ' A' ' 98' ' ' VAL . 30.7 t80 -63.44 -53.86 45.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 34.7 mt -60.52 -21.39 62.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -83.34 -43.95 15.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.14 -28.19 65.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -90.09 3.68 52.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt 47.68 51.28 14.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.436 ' CD1' HD22 ' A' ' 34' ' ' LEU . 38.8 mt -92.62 150.0 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.45 71.25 2.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 32.0 p90 -105.91 176.34 5.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 0.775 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.5 mm-40 -132.0 151.42 51.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -103.91 111.95 24.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 14' ' ' ILE . 14.6 mmmt -112.29 116.79 30.96 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.433 ' OD2' ' N ' ' A' ' 48' ' ' ALA . 12.5 t70 -90.9 120.03 31.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.412 HD13 ' NE ' ' A' ' 53' ' ' ARG . 11.8 pt -89.06 -28.17 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.475 ' HB2' ' CB ' ' A' ' 17' ' ' SER . . . -55.44 -66.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.433 ' N ' ' OD2' ' A' ' 45' ' ' ASP . . . -93.08 57.07 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.355 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 50' ' ' GLU . 8.2 t-20 174.52 56.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 49' ' ' ASN . 2.0 mt-10 -37.91 -48.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.267 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 18.0 pt-20 -42.89 -52.47 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.448 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 7.9 m-20 -53.04 -46.09 68.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.451 ' O ' ' CG ' ' A' ' 57' ' ' ARG . 29.5 ttt180 -67.86 -41.26 83.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.76 -62.04 2.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.448 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 31.6 t90 -54.46 -61.59 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 108.015 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.568 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 3.2 ttp -45.28 -50.59 11.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 111.041 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.651 ' NE ' ' CD1' ' A' ' 70' ' ' TYR . 36.6 mtt180 -49.6 -46.85 49.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.38 -48.29 82.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.354 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 33.8 m-80 -58.3 -58.46 8.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.494 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 55.0 t -38.37 122.59 1.1 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 150.22 38.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.475 1.776 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -58.18 -41.4 83.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -60.02 -22.25 62.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.499 ' OG ' ' CE1' ' A' ' 82' ' ' TYR . 1.4 m -97.34 -25.73 15.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -55.55 158.88 5.4 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.415 ' C ' ' N ' ' A' ' 68' ' ' THR . 18.2 Cg_endo -75.05 164.29 33.54 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.461 1.769 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -42.09 -28.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.415 ' N ' ' C ' ' A' ' 66' ' ' PRO . 9.0 t -172.52 141.0 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.6 176.38 45.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.651 ' CD1' ' NE ' ' A' ' 57' ' ' ARG . 82.4 m-85 -61.88 162.03 19.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.494 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.99 115.91 4.43 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.6 mt -77.32 150.3 79.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.487 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -74.95 167.33 27.31 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.455 1.766 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.487 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.0 155.62 99.97 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.989 0.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -128.27 110.51 12.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.7 mp -78.79 135.5 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.559 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 1.3 m-85 -145.33 129.86 17.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 80' ' ' SER . 23.0 t-20 -94.02 98.66 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 58.82 -81.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.251 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -131.32 5.12 4.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.028 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.63 164.45 12.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.499 ' CE1' ' OG ' ' A' ' 64' ' ' SER . 39.7 t80 -109.36 145.03 36.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -115.61 -52.82 2.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.477 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 169.63 -166.34 39.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -117.72 -178.36 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.1 t80 -42.41 -34.93 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -61.06 -55.76 28.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 101' ' ' PHE . . . -62.35 -36.15 81.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -58.84 -48.51 81.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -64.19 -51.82 61.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -53.75 -51.39 63.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.26 -23.27 63.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.416 ' N ' HG23 ' A' ' 98' ' ' VAL . 23.5 ttp85 -79.14 -56.5 4.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.445 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 1.6 mm-40 -54.44 -35.39 62.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -87.51 12.52 12.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 40.14 63.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.72 23.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.163 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.507 HG13 ' CE1' ' A' ' 33' ' ' PHE . 1.2 t -56.05 -58.88 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -43.16 -45.41 5.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.31 -37.0 82.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 88' ' ' ALA . 14.6 t80 -72.85 -12.0 60.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.552 1.158 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.449 ' CD1' HG12 ' A' ' 98' ' ' VAL . 45.5 mt -110.89 1.67 17.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 66.22 19.8 68.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.8 mt -91.81 -174.82 3.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 0.78 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 54.0 m -110.74 147.6 34.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.404 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.71 150.81 38.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 150.43 38.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 111.01 3.22 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.515 1.797 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 120.58 -21.08 8.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.445 1.091 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 113' ' ' ALA . 0.6 OUTLIER -74.43 159.41 32.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.773 . . . . 0.0 109.98 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.452 ' HA ' ' CG ' ' A' ' 114' ' ' GLU . 8.0 tptt -45.22 -59.32 2.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.95 -23.81 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.442 ' N ' ' C ' ' A' ' 111' ' ' LYS . . . -91.39 -48.76 6.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 115' ' ' VAL . 0.1 OUTLIER -65.44 -36.24 83.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.471 ' N ' ' HG3' ' A' ' 114' ' ' GLU . 7.9 p -126.68 125.4 66.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.05 -58.08 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.961 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -38.89 99.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -42.28 0.53 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.512 1.796 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.3 p 48.49 -175.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.04 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -108.85 154.98 21.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.995 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.41 123.59 28.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 110.006 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 m -50.49 109.34 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.77 126.51 4.9 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.74 -58.41 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 110.006 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 m -120.95 146.79 46.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.012 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.62 150.17 5.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -165.46 85.37 0.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 0.755 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -86.15 138.08 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 42' ' ' GLU . 9.6 mm -102.41 105.13 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -101.13 123.41 45.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -108.18 128.5 63.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.443 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 10.5 m-85 -99.51 100.02 10.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.0 pt -105.2 174.52 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -119.53 63.82 0.8 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 17' ' ' SER . 31.4 t -38.32 127.53 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.3 OUTLIER 85.73 34.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.977 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.81 111.5 18.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.15 -48.54 10.19 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.5 m -61.72 97.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 109.986 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.2 m -49.06 -36.4 18.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.416 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.95 -44.63 40.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.1 mt -63.79 -57.89 9.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -40.05 -51.52 2.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' ASP . 1.9 ttmt -59.09 -64.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.2 mttp -41.05 -58.37 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -52.62 -49.4 65.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -63.09 -25.64 68.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 25' ' ' LYS . 3.8 t70 -73.37 -32.59 64.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.5 t -80.47 -32.15 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.3 mt -78.54 -54.38 6.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.43 -40.76 39.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.438 1.087 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -63.89 -50.82 67.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.563 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 51.8 mt -65.22 -23.16 67.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.117 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -82.29 -44.91 15.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.1 -32.87 74.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -87.67 3.66 47.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt 47.58 53.47 11.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.47 ' CD1' HD21 ' A' ' 34' ' ' LEU . 36.4 mt -92.86 149.84 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.82 71.06 2.82 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.14 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 45.0 p90 -103.72 176.34 5.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.1 mm-40 -131.15 150.96 51.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -106.06 116.44 31.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' ILE . 11.9 mmmt -116.96 117.83 30.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -87.91 137.32 32.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 14' ' ' ILE . 13.4 pt -112.65 -9.07 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.78 -53.35 18.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.94 -72.54 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.31 121.71 12.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.7 -51.8 6.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 15.0 pt-20 -39.81 -47.49 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.474 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 9.0 m-20 -55.66 -56.6 18.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.418 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 28.7 ttt180 -57.6 -53.66 55.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -55.43 -64.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.457 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 60.3 t90 -44.96 -62.34 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 108.005 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.572 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 9.2 ttp -42.96 -54.25 4.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.561 ' CZ ' ' CD2' ' A' ' 70' ' ' TYR . 28.6 mtt180 -48.41 -47.0 38.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.46 -37.3 77.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 25.6 m-80 -69.89 -54.48 13.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.502 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 67.2 t -38.84 127.86 1.18 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.73 42.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.93 -42.92 99.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 110.339 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -60.82 -15.54 31.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 m -104.53 -26.17 12.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -64.68 145.1 98.81 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -168.2 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.452 1.764 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.64 89.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.3 t 179.65 137.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.52 32.1 2.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.561 ' CD2' ' CZ ' ' A' ' 57' ' ' ARG . 70.2 m-85 56.04 162.59 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.502 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.01 133.82 17.05 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.494 1.786 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.454 HD11 ' O ' ' A' ' 73' ' ' PRO . 1.1 pp -86.56 152.59 54.82 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.475 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.02 167.23 27.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.466 1.771 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.475 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.03 161.84 94.04 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.971 0.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -129.06 110.21 11.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.431 HG21 ' N ' ' A' ' 77' ' ' PHE . 2.7 mp -83.9 139.29 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.572 ' CE1' ' HG3' ' A' ' 56' ' ' MET . 12.0 m-85 -148.16 129.17 14.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 80' ' ' SER . 24.1 t-20 -86.49 96.55 10.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 66.83 -60.3 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.266 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -147.94 -37.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.22 166.47 11.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.552 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 17.9 t80 -103.6 137.84 41.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -108.6 -52.03 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.552 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 169.11 -170.81 42.73 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.7 p-10 -113.24 -174.3 2.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 0.799 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.522 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -49.17 -34.27 14.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.95 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.53 -57.67 10.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.56 ' HB2' ' CE1' ' A' ' 101' ' ' PHE . . . -61.0 -32.01 71.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -65.16 -45.04 86.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -67.26 -50.54 60.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -52.73 -55.16 24.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.65 -25.48 39.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.405 ' N ' HG22 ' A' ' 98' ' ' VAL . 23.0 ttp85 -76.73 -41.7 44.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -66.37 -35.22 79.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -86.24 9.9 16.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 15.5 m120 45.18 59.65 3.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -152.08 26.72 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 101' ' ' PHE . 1.4 t -54.36 -57.19 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -42.27 -42.57 3.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.45 -41.27 93.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 24.6 t80 -69.81 -8.66 50.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.418 ' CD1' HG11 ' A' ' 98' ' ' VAL . 22.4 mt -115.42 0.5 13.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 65.87 24.86 71.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.5 mt -98.43 -177.69 3.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.5 m -108.65 150.19 27.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.401 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -109.23 147.31 35.71 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 150.96 38.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.512 1.796 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 105.59 2.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 128.67 -14.9 6.03 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.64 174.71 7.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -33.36 71.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -62.56 -40.56 97.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.7 -36.89 36.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 116' ' ' SER . 1.3 mt-10 -69.69 -63.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 117' ' ' GLY . 67.8 t 61.9 -82.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 114' ' ' GLU . 85.2 p -63.29 81.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.03 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 115' ' ' VAL . . . -114.19 -124.78 4.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.115 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 68.03 5.84 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.501 1.79 . . . . 0.0 111.018 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 21.8 p -156.78 149.39 23.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.961 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.31 118.17 15.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.058 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 111.021 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.3 t -71.49 86.66 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 0.793 . . . . 0.0 109.993 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.31 170.06 11.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.57 64.77 0.37 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.143 . . . . 0.0 111.022 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 t -171.34 84.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 110.024 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.82 157.16 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.075 . . . . 0.0 110.003 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.31 175.08 25.11 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 mtp 38.97 85.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 t -90.32 132.34 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 mm -97.6 104.43 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -100.77 125.65 47.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.1 t -110.2 138.22 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.356 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.512 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 24.6 m-85 -106.22 94.52 5.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 46' ' ' ILE . 1.9 pt -104.77 -177.75 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.506 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -132.74 74.06 1.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.506 ' C ' ' O ' ' A' ' 15' ' ' ALA . 2.7 t -31.37 -76.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -41.45 -65.24 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.985 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 17' ' ' SER . 3.1 p 47.07 -174.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.044 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -144.95 15.73 1.95 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 m -146.15 140.4 26.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.964 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.7 m -71.46 -46.1 60.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.435 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.08 -49.81 2.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mt -62.13 -57.52 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -41.35 -45.71 3.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.26 -66.01 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -39.86 -56.86 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.448 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 28.9 mt-30 -53.13 -48.5 67.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -64.04 -19.91 65.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -78.83 -33.26 46.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.0 t -81.87 -33.75 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -77.37 -55.34 5.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.47 -39.91 37.97 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.415 ' CZ ' HG12 ' A' ' 98' ' ' VAL . 50.4 t80 -62.22 -51.57 67.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.563 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 54.6 mt -63.03 -24.91 68.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -79.84 -41.48 26.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.93 -31.01 65.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -88.93 9.46 24.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt 42.27 51.31 4.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.474 ' CD1' HD23 ' A' ' 34' ' ' LEU . 96.7 mt -93.54 149.49 4.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.88 83.02 1.54 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 40.9 p90 -117.04 175.99 5.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 0.799 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -132.5 141.76 48.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -95.03 117.8 30.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 14' ' ' ILE . 14.0 mmmt -118.82 117.63 29.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -87.79 136.56 32.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' A' ' 14' ' ' ILE . 6.2 pt -107.71 -24.6 3.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.84 -57.87 10.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.22 -74.28 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -55.49 123.25 13.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.8 -55.1 4.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 52' ' ' ASN . 12.4 pt-20 -39.84 -52.54 2.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.423 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 8.6 m-20 -48.25 -55.47 10.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.443 ' HG2' ' NE ' ' A' ' 57' ' ' ARG . 40.8 ttt180 -60.6 -64.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 1.0 OUTLIER -42.02 -64.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.466 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 31.7 t90 -49.58 -61.73 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 107.984 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.589 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 15.0 ttp -38.17 -61.66 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.661 ' CD ' ' CD1' ' A' ' 70' ' ' TYR . 29.7 mtm180 -43.36 -52.26 5.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -52.31 -38.81 59.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 28.2 m-80 -70.57 -55.32 9.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.516 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 73.7 t -38.11 125.22 1.05 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.02 151.99 40.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -67.61 -19.81 65.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -81.53 -12.33 58.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.7 m -108.06 -22.79 12.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.9 mtt85 -54.03 154.91 6.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 177.76 8.13 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.425 1.75 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.22 -50.96 15.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.9 t -153.59 145.41 23.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.369 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.7 -168.5 31.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.661 ' CD1' ' CD ' ' A' ' 57' ' ' ARG . 87.7 m-85 -79.8 162.77 61.4 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.771 . . . . 0.0 111.033 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.516 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.01 115.2 4.21 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.519 1.8 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 73' ' ' PRO . 1.5 pp -75.22 152.19 85.99 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.459 ' O ' HD12 ' A' ' 72' ' ' LEU . 18.2 Cg_endo -75.02 165.74 30.66 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.446 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -75.0 168.45 77.4 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.987 -0.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -139.19 110.53 6.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.416 1.072 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.9 mp -76.78 128.79 37.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.359 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.589 ' CE1' ' HG3' ' A' ' 56' ' ' MET . 3.4 m-85 -138.17 129.81 28.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 80' ' ' SER . 11.0 t-20 -92.91 101.06 13.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 57.39 -83.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -126.73 -0.99 6.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -101.88 173.26 6.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 18.0 t80 -112.77 149.99 32.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -121.19 -53.95 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 167.07 -168.57 40.45 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -115.61 -177.17 3.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 0.749 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.421 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 0.9 OUTLIER -45.03 -34.12 2.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.974 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.43 -59.71 4.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.561 ' HB2' ' CE1' ' A' ' 101' ' ' PHE . . . -59.82 -26.28 65.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.4 ' HE1' ' CD2' ' A' ' 33' ' ' PHE . 18.8 t80 -72.29 -39.89 67.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -71.69 -41.87 68.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -63.07 -45.99 89.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.54 -24.32 67.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.39 -55.92 6.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.435 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 1.9 mm-40 -55.41 -36.01 65.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -81.03 2.69 25.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 49.32 39.25 15.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -131.49 32.53 4.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.233 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.415 HG12 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -59.86 -52.41 61.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -47.96 -42.36 27.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.59 -37.83 85.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.175 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 18.1 t80 -71.8 -11.93 61.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 36.0 mt -110.68 1.64 18.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 67.1 21.03 71.51 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 23.4 mt -93.14 -174.14 3.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 33.4 m -111.46 149.99 30.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.372 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -104.37 147.56 34.56 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 146.53 32.75 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.527 1.804 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 112.55 3.58 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.788 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 119.88 -31.93 5.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.77 165.94 3.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.988 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.434 ' O ' ' CG1' ' A' ' 115' ' ' VAL . 0.3 OUTLIER -58.4 -37.08 74.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -55.83 -39.04 70.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -81.02 -41.57 22.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -58.87 -64.88 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.434 ' CG1' ' O ' ' A' ' 111' ' ' LYS . 9.9 p -45.37 101.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.56 97.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.962 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -171.95 -151.23 7.67 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 95.66 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.473 1.775 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.8 t -164.23 125.32 2.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.5 t -86.72 76.96 9.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -160.69 123.9 3.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 p -150.37 170.3 19.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.026 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.32 171.73 44.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.125 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 p -154.4 154.16 32.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 0.0 109.974 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 p -131.26 174.12 10.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.48 128.01 3.81 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.443 1.089 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -167.98 83.71 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 0.804 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -82.49 144.61 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' GLU . 12.1 mm -108.15 107.73 23.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.465 ' CZ ' ' HE2' ' A' ' 44' ' ' LYS . 26.1 mtp180 -100.45 128.56 46.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.9 t -115.95 126.9 73.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 4.3 m-85 -100.0 99.36 10.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' LYS . 2.4 pt -105.08 177.28 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -124.19 67.28 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 15' ' ' ALA . 14.3 t -35.2 -35.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -102.41 64.65 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 t -101.0 -70.62 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.142 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.2 -36.06 4.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -71.05 105.06 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 110.005 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.4 m -42.24 -49.9 4.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.443 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.78 -60.59 1.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.6 mt -53.02 -60.81 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.367 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ILE . 33.2 mtmt -39.92 -50.34 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.3 OUTLIER -59.61 -65.23 0.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HG2' ' CE2' ' A' ' 86' ' ' TYR . 35.4 mttm -39.54 -55.98 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -54.2 -50.98 65.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -63.56 -21.52 66.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 25' ' ' LYS . 8.1 t0 -79.45 -34.26 41.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.3 t -79.55 -28.81 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.3 mt -82.47 -54.34 5.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.08 -39.17 26.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.44 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 35.7 t80 -64.0 -58.28 7.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.547 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 35.0 mt -56.18 -19.86 15.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -85.01 -47.18 10.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.96 -26.44 66.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -91.39 -0.86 57.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm 52.75 42.72 31.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.262 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.402 ' CD1' HD22 ' A' ' 34' ' ' LEU . 16.9 mt -83.57 151.34 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.4 72.97 2.29 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.547 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 38.7 p90 -106.28 175.77 5.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.4 mt-10 -134.24 139.06 45.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -93.74 114.27 26.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.465 ' HE2' ' CZ ' ' A' ' 11' ' ' ARG . 7.4 mmmt -115.24 125.45 53.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -94.75 129.78 41.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.461 ' CG1' ' HD2' ' A' ' 53' ' ' ARG . 13.3 pt -99.14 -13.5 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.78 -70.52 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.82 -94.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -52.63 121.78 7.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -84.98 -38.45 19.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -40.83 -41.16 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 56' ' ' MET . 11.8 m-20 -67.0 -55.94 12.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.461 ' HD2' ' CG1' ' A' ' 46' ' ' ILE . 26.5 ttt180 -56.54 -52.14 65.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 1.5 tttp -52.99 -71.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.621 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 87.3 t90 -43.45 -55.04 4.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 108.023 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.592 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 11.1 ttp -47.36 -49.22 24.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.697 ' CD ' ' CD1' ' A' ' 70' ' ' TYR . 45.7 mtm180 -57.1 -39.95 76.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.77 -14.51 60.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.621 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.8 m-80 -89.41 -56.16 3.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.491 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 54.6 t -41.54 127.55 2.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 151.27 39.41 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.429 1.752 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.41 -26.55 68.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -76.76 -7.89 56.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 m -113.07 -23.71 9.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.999 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -60.48 161.81 13.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.402 ' C ' ' N ' ' A' ' 68' ' ' THR . 18.3 Cg_endo -75.0 163.99 34.24 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.789 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -42.42 -29.59 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.402 ' N ' ' C ' ' A' ' 66' ' ' PRO . 9.7 t -168.04 145.7 4.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.41 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.11 -174.82 44.26 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.099 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.697 ' CD1' ' CD ' ' A' ' 57' ' ' ARG . 90.0 m-85 -76.29 162.29 71.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.491 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.4 Cg_endo -75.01 122.06 6.97 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.514 1.797 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.7 mt -79.98 150.48 71.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.496 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.02 168.22 25.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.496 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.96 167.92 78.97 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.023 -0.052 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.51 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 67.3 mm-40 -137.73 110.44 7.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.405 HG21 ' N ' ' A' ' 77' ' ' PHE . 2.8 mp -83.42 137.33 21.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.592 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 57.7 m-85 -143.5 128.66 18.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 80' ' ' SER . 29.0 t-20 -85.95 96.85 9.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 78' ' ' ASN . 39.1 mt-10 66.48 -59.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 78' ' ' ASN . 1.5 t -147.41 -41.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.85 169.17 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.522 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 1.7 t80 -107.2 139.38 41.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -109.39 -56.97 2.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.421 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 173.74 -177.14 46.18 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.9 p-10 -111.19 -178.57 3.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 0.745 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.43 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -40.82 -37.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 111.001 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -60.94 -54.81 40.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.573 ' HB1' ' CE1' ' A' ' 101' ' ' PHE . . . -62.81 -33.31 74.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -64.8 -39.37 93.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 111.039 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -72.16 -48.37 43.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -56.75 -48.46 77.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.51 -21.2 66.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.41 ' N ' HG21 ' A' ' 98' ' ' VAL . 17.6 ttp180 -77.82 -56.26 4.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.423 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 1.9 mm-40 -53.68 -35.17 60.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -86.19 10.81 13.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 40.58 54.72 2.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -142.0 17.35 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.462 HG13 ' CD1' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -46.61 -54.03 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -46.08 -44.92 15.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.37 -37.39 86.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.573 ' CE1' ' HB1' ' A' ' 88' ' ' ALA . 14.4 t80 -73.11 -9.83 59.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.462 ' CD1' HG13 ' A' ' 98' ' ' VAL . 28.6 mt -113.0 -0.7 14.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.64 20.44 75.69 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.7 mt -94.8 -175.23 3.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 0.739 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 33.3 m -111.16 150.55 29.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -102.21 151.85 38.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 147.49 33.89 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 107.35 2.46 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 108.92 49.72 0.77 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 113' ' ' ALA . 0.4 OUTLIER -151.62 157.86 42.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 0.792 . . . . 0.0 110.002 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.41 -58.3 1.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -42.58 -43.24 3.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 110' ' ' SER . . . -77.55 -38.3 48.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -62.56 -62.9 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.1 p -69.51 66.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.1 t -174.63 148.95 1.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -170.79 -155.65 10.68 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.557 1.16 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 55.82 4.04 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.529 1.805 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 40.6 t -169.33 96.05 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 m -64.34 -60.21 3.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.98 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -57.25 119.49 6.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.956 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -152.58 114.3 4.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.44 148.07 23.05 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -166.74 90.75 0.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -144.13 155.76 44.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.984 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.23 -142.33 3.63 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.54 1.15 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 104' ' ' LEU . 2.0 mtp 39.22 84.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.489 ' CG1' ' OE2' ' A' ' 42' ' ' GLU . 1.6 t -92.87 130.7 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.5 mm -98.15 105.72 17.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -101.1 124.33 46.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.345 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.9 t -109.49 137.26 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 14.7 m-85 -104.97 95.04 5.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 44' ' ' LYS . 1.9 pt -104.91 -178.93 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -130.04 73.44 1.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 15' ' ' ALA . 4.1 t -33.7 -46.1 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.015 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.467 ' HB3' ' CB ' ' A' ' 47' ' ' ALA . 5.0 t -68.33 -68.28 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.043 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 17' ' ' SER . 1.1 p 47.08 -174.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.034 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -150.46 20.72 1.05 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -147.82 137.96 22.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 22' ' ' ALA . 2.0 m -65.47 -48.82 71.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.397 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 21' ' ' THR . . . -39.65 -57.35 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.6 mt -53.98 -61.79 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 23' ' ' ILE . 36.1 mtmt -40.28 -53.24 2.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -55.61 -64.8 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 29' ' ' ASP . 39.8 mttm -40.82 -58.59 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.431 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 28.3 mt-30 -50.02 -39.5 41.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 25' ' ' LYS . 35.6 mt-30 -71.57 -21.73 61.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 26' ' ' LYS . 2.8 t0 -79.32 -32.31 43.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -81.35 -34.39 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.4 mt -77.47 -55.22 5.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.55 -40.55 32.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.463 ' CE2' HG13 ' A' ' 98' ' ' VAL . 62.7 t80 -63.18 -57.21 11.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.516 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 33.3 mt -57.47 -24.41 55.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -80.45 -44.66 18.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.49 -29.72 69.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -88.78 2.76 52.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 49.14 50.79 17.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.471 ' CD1' HD23 ' A' ' 34' ' ' LEU . 37.2 mt -92.2 145.86 7.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.76 75.6 2.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.516 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 52.5 p90 -106.97 175.81 5.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 111.024 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.489 ' OE2' ' CG1' ' A' ' 9' ' ' VAL . 1.3 mt-10 -130.3 138.74 50.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -92.24 114.99 27.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 14' ' ' ILE . 13.8 mmmt -115.01 115.18 26.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -89.53 127.74 35.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 14' ' ' ILE . 9.2 pt -93.29 -32.83 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 17' ' ' SER . . . -55.34 -61.4 2.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.8 50.47 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 172.28 92.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -66.89 -51.99 48.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.444 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 15.5 pt-20 -38.16 -51.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.444 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 7.6 m-20 -57.78 -55.75 30.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -56.62 -56.29 23.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 0.8 OUTLIER -48.34 -67.66 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.459 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 87.3 t90 -47.05 -57.37 5.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 107.987 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.573 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 11.7 ttp -44.96 -46.49 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.485 ' NE ' ' CG ' ' A' ' 70' ' ' TYR . 15.3 mtt180 -60.01 -41.44 92.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.29 -16.41 62.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.459 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 2.4 m-80 -91.68 -48.23 6.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.483 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 19.7 t -42.84 132.56 3.03 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.487 ' HD3' ' CG ' ' A' ' 82' ' ' TYR . 18.1 Cg_endo -75.04 150.84 38.55 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.789 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -63.47 -27.67 69.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -76.3 -5.92 49.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.2 m -115.42 -12.06 11.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.012 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -72.2 150.33 92.09 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -178.2 4.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.798 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -51.04 -51.13 56.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.258 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.1 t -151.13 151.52 32.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.14 -159.4 28.75 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.453 1.095 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.485 ' CG ' ' NE ' ' A' ' 57' ' ' ARG . 83.9 m-85 -92.99 161.68 30.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.76 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.483 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.0 119.66 5.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.788 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 47.4 mt -73.83 151.29 88.76 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.486 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.0 167.46 26.99 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.486 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -75.03 173.41 58.05 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.002 0.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.409 ' NE2' ' HB2' ' A' ' 71' ' ' PRO . 53.0 mm-40 -143.78 110.43 5.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.251 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 77' ' ' PHE . 2.8 mp -76.47 138.79 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 7.3 m-85 -149.03 129.48 13.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 81' ' ' GLN . 23.9 t-20 -90.12 99.2 12.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 59.77 -83.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -124.29 -10.01 7.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.996 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -96.09 161.3 14.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.28 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.507 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 2.2 t80 -102.45 150.87 22.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.48 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 30.7 mmm180 -119.51 -61.94 1.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.507 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 178.38 -171.73 44.09 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -111.09 -176.64 3.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 0.0 109.322 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.465 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 0.7 OUTLIER -47.09 -36.8 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -61.37 -52.92 62.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.558 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . . . -64.5 -32.96 74.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -63.85 -38.99 93.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -72.7 -48.88 35.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -56.41 -54.82 41.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.91 -21.97 23.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.3 ttp180 -80.32 -45.87 17.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.353 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -58.25 -38.29 76.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.262 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -86.23 9.8 16.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 45.69 55.66 6.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -141.52 19.27 2.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.463 HG13 ' CE2' ' A' ' 33' ' ' PHE . 1.4 t -49.08 -53.76 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.563 ' CE1' ' HD3' ' A' ' 107' ' ' PRO . 46.5 m-85 -51.6 -41.44 61.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.52 -27.64 65.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.558 ' CE1' ' HB3' ' A' ' 88' ' ' ALA . 22.9 t80 -83.41 -9.1 59.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 43.2 mt -105.63 -3.55 22.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.05 14.84 76.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.457 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 5.1 mt -90.29 -174.01 4.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.481 ' O ' ' CG2' ' A' ' 105' ' ' THR . 0.4 OUTLIER -126.93 12.09 7.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.395 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 66.32 149.44 0.12 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.563 ' HD3' ' CE1' ' A' ' 99' ' ' TYR . 18.3 Cg_endo -74.97 153.34 41.86 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.566 1.824 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 55.19 3.85 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.461 1.769 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 171.48 39.33 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -133.66 159.94 39.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 0.0 109.995 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.428 ' O ' ' CG1' ' A' ' 115' ' ' VAL . 0.5 OUTLIER -47.6 -47.69 28.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.33 -28.08 26.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 110' ' ' SER . . . -92.91 -43.09 9.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -61.28 -46.25 91.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.328 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.428 ' CG1' ' O ' ' A' ' 111' ' ' LYS . 10.8 m -58.0 -160.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.5 t -47.48 -58.0 4.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 99.32 98.84 2.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -24.89 12.39 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.5 m -171.03 121.36 0.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.79 110.63 3.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.51 168.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.783 . . . . 0.0 109.967 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.73 154.31 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 110.03 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.37 84.36 0.82 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.97 169.46 6.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.759 . . . . 0.0 110.028 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -43.53 165.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.045 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.13 -139.28 9.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.552 1.157 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 103' ' ' GLY . 48.8 mtm 58.25 84.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 0.739 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 t -81.5 140.01 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 42' ' ' GLU . 7.8 mm -103.64 104.91 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 77' ' ' PHE . 24.6 mtt180 -101.46 135.1 43.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.67 136.96 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 19.9 m-85 -103.52 96.96 7.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 44' ' ' LYS . 1.9 pt -105.11 -179.62 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -128.32 70.56 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 15' ' ' ALA . 6.8 t -32.91 -41.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.976 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -71.7 -69.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.986 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 47.25 -173.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -144.86 15.97 1.97 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.86 163.58 31.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 0.781 . . . . 0.0 109.997 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.6 m -90.43 -40.62 11.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.39 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.18 -54.61 15.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.0 mt -51.88 -59.87 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -44.2 -40.1 4.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -69.66 -65.61 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -41.03 -57.09 2.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -51.51 -44.64 62.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 110.343 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -67.25 -26.09 66.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -73.64 -29.14 62.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.6 t -83.71 -31.03 7.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.1 mt -80.56 -54.04 6.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.85 -44.82 31.59 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.438 ' CE2' HG13 ' A' ' 98' ' ' VAL . 49.0 t80 -59.9 -55.93 27.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 0.799 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.56 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 67.2 mt -58.11 -22.38 50.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -83.35 -45.44 13.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.5 -27.53 67.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -94.18 5.73 50.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 45.88 52.63 9.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.352 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.465 ' CD1' HD21 ' A' ' 34' ' ' LEU . 36.5 mt -92.47 148.5 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.43 75.3 2.34 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.56 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 49.3 p90 -108.0 176.23 5.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 0.723 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 10' ' ' ILE . 2.8 mm-40 -132.15 150.56 52.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -104.86 110.58 23.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 14' ' ' ILE . 12.7 mmmt -110.94 117.55 33.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.47 ' OD2' ' N ' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -92.8 121.94 34.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.2 pt -87.13 -28.89 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.8 -73.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.47 ' N ' ' OD2' ' A' ' 45' ' ' ASP . . . -84.26 50.15 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -179.91 91.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.29 -53.72 27.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 11.2 pt-20 -38.03 -52.31 1.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.449 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 9.1 m-20 -55.68 -54.38 44.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -58.33 -54.69 44.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.306 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 57' ' ' ARG . 4.4 tttt -53.01 -66.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.427 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 90.0 t90 -46.52 -60.01 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 108.028 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.581 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 11.5 ttp -44.43 -49.24 9.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.588 ' NE ' ' CE1' ' A' ' 70' ' ' TYR . 11.3 mtp180 -56.39 -42.6 78.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.15 -22.15 65.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.256 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 3.3 m-80 -85.0 -52.51 5.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.478 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 48.7 t -40.1 131.07 1.59 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 150.17 38.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.434 1.755 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -55.31 -47.73 75.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -56.2 -18.61 10.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -101.33 -27.11 13.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -66.99 140.35 96.02 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.244 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 177.1 9.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.783 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.533 ' O ' ' CG2' ' A' ' 68' ' ' THR . . . -48.26 -52.33 21.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.533 ' CG2' ' O ' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -172.36 137.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 115.73 27.88 2.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.558 1.162 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.588 ' CE1' ' NE ' ' A' ' 57' ' ' ARG . 68.0 m-85 57.28 162.71 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.478 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.05 130.88 13.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.515 1.797 . . . . 0.0 111.03 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 73' ' ' PRO . 1.0 OUTLIER -84.89 153.47 60.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.483 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -74.95 167.59 26.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.483 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.04 166.03 84.34 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.988 -0.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -137.02 110.67 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 77' ' ' PHE . 3.0 mt -84.36 142.22 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.581 ' CE1' ' HG3' ' A' ' 56' ' ' MET . 12.8 m-85 -147.42 129.05 15.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.513 ' O ' ' N ' ' A' ' 80' ' ' SER . 19.9 t-20 -84.68 96.5 9.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 66.78 -59.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.3 OUTLIER -147.92 -39.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -68.13 167.33 14.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.502 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 15.6 t80 -102.16 150.3 23.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -120.32 -53.63 2.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.339 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.502 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 174.45 174.6 41.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.563 1.165 . . . . 0.0 110.99 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 88' ' ' ALA . 25.7 p-10 -103.73 177.34 4.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 109.318 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -39.7 -34.84 0.27 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.48 -53.3 54.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.567 ' HB2' ' CE1' ' A' ' 101' ' ' PHE . . . -65.7 -30.23 70.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -65.59 -48.73 71.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -64.89 -49.43 70.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -54.51 -54.09 45.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.26 -20.27 40.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.423 ' N ' HG22 ' A' ' 98' ' ' VAL . 18.9 ttp180 -83.1 -41.18 18.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.44 -40.12 96.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -84.42 7.8 18.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.2 m120 47.65 58.93 4.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -145.47 20.19 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -50.36 -57.59 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.441 ' CE2' ' HD3' ' A' ' 107' ' ' PRO . 7.9 m-85 -44.78 -41.4 6.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.81 -35.42 76.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 22.2 t80 -75.61 -9.88 58.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.428 ' CD1' HG12 ' A' ' 98' ' ' VAL . 29.3 mt -112.84 2.37 15.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.4 ' O ' ' SD ' ' A' ' 8' ' ' MET . . . 67.78 16.9 68.66 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.0 mt -92.0 -174.1 3.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 109.348 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 41.9 m -112.29 149.22 32.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.449 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -97.99 150.71 37.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.441 ' HD3' ' CE2' ' A' ' 99' ' ' TYR . 18.3 Cg_endo -75.02 147.01 33.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.78 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 97.28 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 121.31 41.45 0.5 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.112 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 113' ' ' ALA . 0.6 OUTLIER -140.3 157.86 44.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 110.007 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.75 -52.69 2.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -47.42 -44.44 24.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 110' ' ' SER . . . -74.51 -46.85 36.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 115' ' ' VAL . 22.8 mm-40 -53.63 -68.67 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' GLU . 25.5 t 40.35 89.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.7 t -52.52 -61.89 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -154.01 101.6 0.21 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 120.55 6.1 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.69 120.39 6.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 109.952 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.7 t -156.64 161.31 39.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.008 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 p -176.97 165.61 2.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 0.782 . . . . 0.0 110.046 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.3 t -169.43 160.98 9.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 110.025 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.47 -126.53 2.59 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.5 m 58.15 103.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 0.744 . . . . 0.0 109.977 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.66 127.09 45.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.56 -154.75 25.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.5 ptt? -155.81 86.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.753 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.412 ' CG1' ' OE2' ' A' ' 42' ' ' GLU . 1.3 t -88.06 133.85 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.353 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 42' ' ' GLU . 9.3 mm -98.43 106.28 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -100.81 125.44 47.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.4 t -112.43 126.85 69.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.584 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 10.2 m-85 -98.41 100.65 11.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.411 HG21 ' CG ' ' A' ' 27' ' ' GLN . 2.8 pt -105.05 170.85 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -116.62 63.39 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 17' ' ' SER . 32.7 t -37.31 120.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.042 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.2 OUTLIER 82.69 37.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.5 t -74.64 157.41 35.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.98 55.78 1.14 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -171.99 101.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.2 m -42.62 -50.89 5.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.372 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.05 -56.99 2.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.9 mt -52.65 -59.89 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 23' ' ' ILE . 28.8 mtmt -38.58 -51.82 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -64.53 -62.26 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.559 ' HD3' ' CD1' ' A' ' 86' ' ' TYR . 46.2 mttt -39.11 -46.37 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.411 ' CG ' HG21 ' A' ' 14' ' ' ILE . 29.7 mt-30 -67.31 -42.15 84.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -65.84 -43.33 88.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 28' ' ' GLN . 15.6 t0 -60.64 -26.28 66.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.5 t -84.45 -39.47 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.6 mt -74.03 -55.75 5.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.64 -40.25 32.28 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.508 1.13 . . . . 0.0 110.956 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.547 ' CE2' HG12 ' A' ' 98' ' ' VAL . 66.0 t80 -63.0 -55.25 27.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.791 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 51.3 mt -60.27 -25.38 65.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -80.6 -45.52 17.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.26 -33.04 75.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -88.73 8.55 28.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 43.71 48.13 6.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.405 ' CD1' HD22 ' A' ' 34' ' ' LEU . 23.2 mt -87.13 151.87 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -89.51 75.15 1.87 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.477 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 38.7 p90 -106.52 175.39 5.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.412 ' OE2' ' CG1' ' A' ' 9' ' ' VAL . 1.9 mt-10 -131.52 141.36 49.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -96.09 117.83 31.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 14' ' ' ILE . 14.8 mmmt -118.57 115.27 24.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -90.48 123.6 34.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.1 pt -91.91 -13.88 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.47 -61.87 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.15 51.95 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 170.27 101.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.67 -49.54 30.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 9.2 pt-20 -39.32 -47.6 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.464 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 11.4 m-20 -60.98 -59.6 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -52.73 -50.52 63.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 10.2 tttt -56.29 -70.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.595 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 64.6 t90 -42.81 -55.6 3.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 108.053 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.588 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 12.3 ttp -45.02 -49.67 11.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.501 ' NE ' ' CD1' ' A' ' 70' ' ' TYR . 7.7 mtp180 -59.62 -42.82 93.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.99 -21.14 66.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.595 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.8 m-80 -86.82 -48.43 8.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.474 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 48.1 t -46.65 133.57 8.12 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.94 151.82 40.31 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -63.08 -34.42 77.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -69.78 -8.17 45.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 m -112.12 -24.03 10.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -62.31 137.85 96.09 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.407 1.067 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -161.63 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.511 1.795 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -105.34 -51.18 3.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.457 ' HG1' ' N ' ' A' ' 69' ' ' GLY . 0.1 OUTLIER -42.06 -71.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.457 ' N ' ' HG1' ' A' ' 68' ' ' THR . . . 170.39 123.35 0.68 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.501 ' CD1' ' NE ' ' A' ' 57' ' ' ARG . 36.6 m-85 59.09 149.29 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 111.048 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.474 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.1 Cg_endo -74.96 129.09 12.05 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.6 mt -83.26 148.71 56.68 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.493 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.01 167.59 26.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.493 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -75.0 165.83 84.9 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.013 -2.495 . . . . 0.0 111.009 0.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.533 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 45.6 mm-40 -136.91 110.72 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.8 mp -81.85 131.56 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.588 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 49.1 m-85 -138.35 128.52 25.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 80' ' ' SER . 16.8 t-20 -85.4 97.49 10.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 66.38 -61.22 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.335 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -146.21 -40.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.27 168.96 6.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.574 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 15.7 t80 -102.42 143.58 31.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -115.15 -49.25 2.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.574 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 168.37 -177.31 42.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -112.15 -171.71 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.559 ' CD1' ' HD3' ' A' ' 26' ' ' LYS . 2.2 t80 -51.62 -38.36 54.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.49 -48.97 79.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.559 ' HB1' ' CE1' ' A' ' 101' ' ' PHE . . . -67.99 -38.0 82.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -58.34 -51.79 68.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -59.37 -47.44 85.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -59.34 -48.57 81.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.03 -20.63 62.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.421 ' N ' HG23 ' A' ' 98' ' ' VAL . 11.9 ttp85 -79.64 -54.58 5.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.456 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 1.5 mm-40 -52.93 -36.9 60.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -85.87 9.81 15.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 42.41 51.05 4.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.75 19.98 2.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.547 HG12 ' CE2' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -49.58 -56.17 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.48 ' CD2' ' OE2' ' A' ' 112' ' ' GLU . 5.5 m-85 -46.22 -43.81 15.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.949 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.7 86.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.559 ' CE1' ' HB1' ' A' ' 88' ' ' ALA . 20.3 t80 -72.53 -10.82 60.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 30.2 mt -112.7 2.85 16.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 66.32 21.32 70.22 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.7 mt -95.6 -176.24 3.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 28.2 m -110.76 150.08 29.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.399 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -99.77 148.51 34.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.355 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 147.07 33.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.777 . . . . 0.0 110.965 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 77.73 3.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.52 1.8 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 138.35 50.93 0.06 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.65 174.24 11.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 110.054 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.82 -47.26 77.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.48 ' OE2' ' CD2' ' A' ' 99' ' ' TYR . 3.8 mp0 -55.03 -28.97 56.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.252 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -89.09 -41.63 12.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.57 -65.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.353 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.4 t 56.9 107.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 117' ' ' GLY . 3.4 t -89.06 107.39 19.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 116' ' ' SER . . . -37.46 98.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 164.5 33.16 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.553 1.817 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 69.7 m -125.31 96.71 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.6 p -168.05 164.87 13.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.963 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -174.42 86.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 109.966 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.45 -59.04 2.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.014 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.52 147.62 6.85 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.13 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.43 163.07 0.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 0.0 109.974 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.3 104.92 3.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.21 -176.92 48.18 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.579 1.174 . . . . 0.0 111.028 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 ptt? -141.19 85.17 1.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.1 t -86.2 141.68 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 42' ' ' GLU . 9.3 mm -106.61 106.14 20.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -101.12 123.22 44.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.5 t -109.04 129.67 63.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -100.76 99.16 9.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 46' ' ' ILE . 2.7 pt -104.97 169.48 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -112.98 63.66 0.64 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.138 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 17' ' ' SER . 35.5 t -38.79 125.61 1.47 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 110.026 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.2 OUTLIER 82.68 41.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 m -75.45 172.33 12.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.038 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.41 -49.66 1.98 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -72.36 117.78 14.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.5 m -54.15 -41.32 68.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.386 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.66 -54.39 6.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.3 mt -53.07 -60.81 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -39.8 -51.49 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -63.71 -61.04 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -41.39 -58.97 1.7 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -51.83 -50.95 59.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 110.305 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -64.2 -19.04 65.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 25' ' ' LYS . 2.6 t70 -79.55 -34.88 40.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.451 HG21 ' CD2' ' A' ' 89' ' ' PHE . 79.7 t -80.42 -34.08 14.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 78.8 mt -76.16 -52.76 9.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -51.88 -38.46 46.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.475 ' CE2' HG12 ' A' ' 98' ' ' VAL . 48.2 t80 -63.98 -51.04 66.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 0.745 . . . . 0.0 111.058 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.567 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 39.2 mt -64.28 -19.9 65.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -86.01 -42.0 14.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.0 -31.47 66.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -86.72 0.22 55.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt 52.1 49.62 20.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.464 ' CD1' HD22 ' A' ' 34' ' ' LEU . 78.6 mt -91.85 155.66 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.96 75.81 1.39 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.564 1.165 . . . . 0.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 34.6 p90 -108.96 176.27 5.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.1 mm-40 -131.74 151.42 51.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -105.2 112.8 26.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.253 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 14' ' ' ILE . 12.4 mmmt -114.7 118.35 33.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -88.77 138.35 31.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 14' ' ' ILE . 20.2 pt -110.55 -15.81 9.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.08 -47.29 68.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.71 -85.77 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -55.59 124.2 16.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.23 -51.14 8.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 9.2 pt-20 -40.29 -47.99 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.488 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 7.5 m-20 -52.36 -54.23 34.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.43 ' HG2' ' NE ' ' A' ' 57' ' ' ARG . 37.0 ttt180 -60.96 -62.68 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -46.09 -64.97 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.483 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 68.0 t90 -44.38 -61.87 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 108.035 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.586 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 15.6 ttp -41.41 -61.66 1.01 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.687 ' CD ' ' CD1' ' A' ' 70' ' ' TYR . 28.3 mtm180 -40.39 -53.08 2.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -52.57 -44.07 65.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 26.5 m-80 -63.06 -57.05 11.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.512 ' CG1' ' HG3' ' A' ' 71' ' ' PRO . 73.4 t -37.41 127.47 0.86 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 148.32 34.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.475 1.776 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.46 ' HA ' ' CD ' ' A' ' 65' ' ' ARG . 12.6 pt-20 -63.86 -25.05 67.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -79.65 -4.83 53.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.2 m -120.4 -4.55 9.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.46 ' CD ' ' HA ' ' A' ' 62' ' ' GLU . 5.6 mtt180 -78.41 150.0 76.16 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.5 4.21 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.541 1.811 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.53 -51.08 61.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.2 t -175.95 136.21 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.374 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 70' ' ' TYR . . . 116.59 33.72 1.39 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.687 ' CD1' ' CD ' ' A' ' 57' ' ' ARG . 79.8 m-85 55.21 163.29 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.512 ' HG3' ' CG1' ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.97 128.41 11.48 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.546 1.813 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.403 ' O ' ' NE2' ' A' ' 75' ' ' GLN . 15.6 mt -87.21 154.14 54.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.511 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.5 Cg_endo -74.95 168.65 24.36 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.511 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -74.99 159.93 97.29 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 121.02 -2.492 . . . . 0.0 110.964 -0.009 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.403 ' NE2' ' O ' ' A' ' 72' ' ' LEU . 54.7 mm-40 -129.96 112.31 13.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.238 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 77' ' ' PHE . 2.8 mp -88.35 138.14 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.586 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 13.8 m-85 -143.66 128.64 18.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.962 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 80' ' ' SER . 22.4 t-20 -84.02 95.77 8.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 65.79 -59.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.1 OUTLIER -148.46 -38.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.45 163.78 15.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -102.44 136.63 41.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -107.35 -56.48 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.31 -170.21 43.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.135 . . . . 0.0 110.979 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -117.88 -176.92 3.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 0.6 OUTLIER -43.96 -35.63 2.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -61.53 -55.81 26.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.572 ' HB1' ' CE1' ' A' ' 101' ' ' PHE . . . -62.5 -34.81 77.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.451 ' CD2' HG21 ' A' ' 30' ' ' VAL . 33.6 t80 -62.87 -45.24 93.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -65.71 -49.02 70.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -56.21 -52.93 62.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.24 -26.61 40.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.083 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.449 ' CA ' HG22 ' A' ' 98' ' ' VAL . 0.9 OUTLIER -75.66 -52.31 10.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.281 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.66 -40.49 60.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -87.35 12.51 11.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.1 m120 41.42 63.46 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.52 22.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.475 HG12 ' CE2' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -53.45 -52.48 32.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -46.23 -47.23 18.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.31 98.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.572 ' CE1' ' HB1' ' A' ' 88' ' ' ALA . 15.0 t80 -67.87 -10.89 56.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.427 ' CD1' HG11 ' A' ' 98' ' ' VAL . 32.3 mt -111.91 -0.9 15.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 71.74 17.15 76.48 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.3 mt -91.82 -175.61 4.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 73.2 m -114.64 147.33 39.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -95.96 151.61 38.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 145.98 32.35 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 77.58 3.1 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.479 1.778 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 141.95 48.1 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.36 163.82 35.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 0.786 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 115' ' ' VAL . 14.1 tptt -45.68 -56.76 4.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -45.08 -33.2 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.54 -47.46 19.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 115' ' ' VAL . 1.9 mt-10 -79.54 -76.94 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 111' ' ' LYS . 3.9 p 35.02 85.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.7 -59.36 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.412 1.07 . . . . 0.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 169.58 151.74 7.5 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 168.62 24.42 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.7 t -133.91 91.97 2.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 84.3 p -171.86 133.89 0.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.977 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.426 1.079 . . . . 0.0 110.973 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.99 115.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 0.784 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t 64.06 94.15 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.95 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.88 104.45 0.18 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 p -92.21 164.13 13.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 0.778 . . . . 0.0 110.019 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.48 83.16 2.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.54 176.6 41.57 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.475 1.109 . . . . 0.0 111.039 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.498 ' CE ' ' O ' ' A' ' 103' ' ' GLY . 96.4 mtp -119.91 91.14 3.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -71.85 140.91 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.243 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 42' ' ' GLU . 12.6 mm -108.28 106.65 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.3 mtt-85 -100.95 131.52 46.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.436 ' CG1' ' O ' ' A' ' 75' ' ' GLN . 13.7 t -119.75 130.77 73.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.418 ' CD2' ' HB2' ' A' ' 56' ' ' MET . 20.5 m-85 -100.29 100.71 11.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.424 ' N ' ' O ' ' A' ' 44' ' ' LYS . 3.1 pt -105.32 161.9 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -109.06 62.4 0.6 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' ALA . 42.5 t -38.15 130.2 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.015 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.69 27.4 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.016 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.9 t -52.46 -68.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.51 -46.64 0.99 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.5 109.41 10.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.052 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.8 m -42.05 -40.72 2.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.71 -64.08 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' LYS . 4.1 mt -51.63 -61.13 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ILE . 41.1 mtmt -40.06 -50.75 2.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -60.59 -64.77 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -42.54 -57.17 2.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -52.74 -41.13 63.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -74.76 -18.44 60.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 25' ' ' LYS . 5.7 t70 -83.58 -35.38 24.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.429 HG21 ' CD2' ' A' ' 89' ' ' PHE . 89.4 t -79.21 -31.13 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.6 mt -81.53 -51.69 8.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.71 -33.45 59.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.433 ' CE1' ' ND2' ' A' ' 37' ' ' ASN . 46.0 t80 -65.82 -56.06 13.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 0.801 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.461 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 16.3 mt -58.6 -24.13 60.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -80.34 -41.36 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.6 -26.87 62.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.433 ' ND2' ' CE1' ' A' ' 33' ' ' PHE . 35.1 m-80 -93.58 1.03 56.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 51.63 51.3 16.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.419 ' CD1' HD23 ' A' ' 34' ' ' LEU . 46.5 mt -95.02 148.51 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.65 77.87 2.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 48.1 p90 -108.12 176.22 5.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.9 OUTLIER -130.98 149.64 52.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 0.0 110.279 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -106.45 114.1 28.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 14' ' ' ILE . 11.1 mmmt -114.48 119.26 36.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.56 131.32 34.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.443 ' HB ' ' CG ' ' A' ' 53' ' ' ARG . 25.6 pt -102.93 -23.15 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.63 -73.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.87 -79.34 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -54.42 123.96 14.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 51' ' ' GLU . 1.1 tp10 -86.36 -53.21 5.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 11.2 pt-20 -38.46 -52.7 1.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.431 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 9.6 m-20 -52.57 -53.09 51.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.443 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 47.0 ttt180 -60.77 -58.03 10.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 0.7 OUTLIER -50.11 -67.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.603 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 82.5 t90 -43.32 -54.73 4.46 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.583 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 6.7 ttp -52.2 -49.19 64.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.566 ' HD2' ' CD1' ' A' ' 70' ' ' TYR . 77.5 mtm180 -58.22 -28.88 65.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -88.88 -15.44 34.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.287 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.603 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.0 OUTLIER -82.78 -54.99 4.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.484 HG21 ' CG ' ' A' ' 71' ' ' PRO . 92.4 t -39.86 135.68 1.28 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.519 ' HD3' ' CG ' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -74.99 149.18 36.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -64.39 -16.2 61.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.71 -12.58 53.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 m -110.67 -23.68 10.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -58.51 143.8 80.22 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.274 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.93 19.32 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.524 1.802 . . . . 0.0 111.028 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.66 -45.5 19.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.6 t -175.13 139.36 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.389 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.86 26.62 3.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.566 ' CD1' ' HD2' ' A' ' 57' ' ' ARG . 31.4 m-85 54.75 166.71 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.484 ' CG ' HG21 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.96 118.29 5.22 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 111.036 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.545 ' O ' ' NE2' ' A' ' 75' ' ' GLN . 1.5 pp -81.81 149.37 63.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.531 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -74.98 169.64 22.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.531 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.04 171.82 66.17 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.012 0.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.545 ' NE2' ' O ' ' A' ' 72' ' ' LEU . 42.1 mm-40 -132.34 137.45 47.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.545 HG23 ' CE2' ' A' ' 101' ' ' PHE . 3.9 mp -104.55 103.95 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.583 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 37.6 m-85 -117.6 129.0 55.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.506 ' O ' ' N ' ' A' ' 80' ' ' SER . 25.6 t-20 -89.65 96.68 10.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 78' ' ' ASN . 70.5 mt-10 67.16 -56.99 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -149.78 -39.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.962 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.54 163.47 13.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.525 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 31.1 t80 -101.76 141.72 34.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -114.47 -44.46 3.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.525 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 159.47 -179.98 34.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.133 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.5 p-10 -101.36 -171.11 1.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.425 ' CB ' ' HD2' ' A' ' 74' ' ' PRO . 0.2 OUTLIER -51.75 -42.53 62.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.417 ' N ' ' CD1' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -55.3 -43.62 75.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.574 ' HB1' ' CE1' ' A' ' 101' ' ' PHE . . . -70.49 -40.59 73.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.429 ' CD2' HG21 ' A' ' 30' ' ' VAL . 15.5 t80 -57.88 -51.65 68.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -60.52 -52.71 64.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -51.32 -56.02 15.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.72 -29.13 37.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -74.28 -48.52 27.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -52.74 -40.69 63.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -86.99 11.11 14.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 45.54 58.06 4.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -141.54 15.86 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -45.45 -59.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.497 ' CD2' ' OE2' ' A' ' 112' ' ' GLU . 8.0 m-85 -43.95 -44.8 7.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.32 95.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.574 ' CE1' ' HB1' ' A' ' 88' ' ' ALA . 30.0 t80 -67.28 -11.97 58.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.533 ' CD2' ' CG2' ' A' ' 76' ' ' ILE . 33.0 mt -109.89 -3.21 16.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.498 ' O ' ' CE ' ' A' ' 8' ' ' MET . . . 73.8 13.57 80.51 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.448 1.092 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.8 mt -88.69 -174.43 4.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 76.0 m -117.82 146.12 44.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.386 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -95.81 148.76 35.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 152.09 40.04 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.462 1.77 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 55.96 4.09 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 168.27 40.76 0.03 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 110.973 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.4 ' OG ' ' N ' ' A' ' 111' ' ' LYS . 1.0 OUTLIER -130.3 173.24 10.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 0.0 110.032 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.4 ' N ' ' OG ' ' A' ' 110' ' ' SER . 2.0 tptt -65.95 -29.37 69.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.497 ' OE2' ' CD2' ' A' ' 99' ' ' TYR . 1.3 mp0 -71.1 -28.97 64.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -92.05 -34.67 14.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 116' ' ' SER . 63.9 mm-40 -73.05 -62.01 1.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 116' ' ' SER . 81.6 t 59.23 -85.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 114' ' ' GLU . 0.2 OUTLIER 78.64 113.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.005 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 109.53 148.81 12.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -47.95 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.476 1.777 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 80.9 p -66.41 -62.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.013 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.9 t 63.59 80.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.5 0.191 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.494 ' CG1' ' OE2' ' A' ' 42' ' ' GLU . 1.4 t -90.44 137.37 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.566 HG12 HD21 ' A' ' 104' ' ' LEU . 7.1 mm -102.25 105.39 17.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -101.6 129.24 47.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -117.03 137.65 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.528 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 22.5 m-85 -105.25 96.99 6.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' ILE . 2.1 pt -104.88 176.88 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -124.17 69.62 1.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' ALA . 13.1 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.63 -56.29 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mt -51.3 -63.62 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -40.91 -51.35 3.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' ASP . 1.3 mptt -59.47 -63.42 1.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -40.26 -57.38 1.74 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -52.96 -47.85 67.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -66.18 -19.51 65.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 25' ' ' LYS . 7.8 t0 -78.7 -33.93 46.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.6 t -81.27 -35.58 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.23 -56.19 5.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.98 -42.48 22.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.738 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 51.0 t80 -60.27 -53.28 59.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 0.763 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.589 HD22 HG21 ' A' ' 39' ' ' ILE . 78.3 mt -61.71 -25.72 67.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -80.37 -42.82 22.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.94 -31.2 67.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -86.96 1.85 51.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 mmtm 50.95 46.78 25.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.589 HG21 HD22 ' A' ' 34' ' ' LEU . 66.7 mt -90.2 150.9 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -89.18 83.1 1.44 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 37.0 p90 -114.69 175.68 5.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.494 ' OE2' ' CG1' ' A' ' 9' ' ' VAL . 1.6 mt-10 -131.28 139.14 49.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -93.32 112.41 24.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 14' ' ' ILE . 12.7 mmmt -113.1 120.03 39.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 47' ' ' ALA . 55.0 t0 -91.04 137.29 32.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.458 HD12 ' HG3' ' A' ' 53' ' ' ARG . 18.1 pt -106.27 -26.64 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.429 ' N ' ' OD1' ' A' ' 45' ' ' ASP . . . -52.33 -62.52 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.21 -74.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.66 119.4 6.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.21 -53.81 5.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 10.2 pt-20 -39.87 -47.31 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.474 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 10.8 m-20 -55.47 -53.49 55.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.458 ' HG3' HD12 ' A' ' 46' ' ' ILE . 40.7 ttt180 -61.25 -53.96 50.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -55.86 -65.88 0.52 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.75 ' CH2' ' ND2' ' A' ' 59' ' ' ASN . 89.0 t90 -44.17 -58.77 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 107.98 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.546 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 4.7 ttp -48.09 -46.47 33.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.603 ' NH2' ' CD2' ' A' ' 70' ' ' TYR . 14.3 mtt180 -59.07 -39.96 83.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.71 -15.29 61.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.75 ' ND2' ' CH2' ' A' ' 55' ' ' TRP . 3.1 m120 -91.5 -49.87 6.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.778 HG11 ' HG3' ' A' ' 71' ' ' PRO . 25.0 t -41.07 133.43 1.86 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.31 39.47 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 111.035 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -62.47 -42.53 99.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.2 -15.14 31.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.8 m -105.9 -25.22 12.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.965 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.552 ' HG3' HG12 ' A' ' 60' ' ' VAL . 39.7 mtp85 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.603 ' CD2' ' NH2' ' A' ' 57' ' ' ARG . 87.4 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.553 0.216 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.778 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.01 128.13 11.23 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.2 mt -81.93 152.0 68.1 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.354 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.525 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -74.95 168.26 25.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.525 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.1 Cg_endo -75.07 167.25 81.01 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.953 0.08 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.4 ' HG2' ' HA ' ' A' ' 73' ' ' PRO . 62.6 mm-40 -138.37 111.34 7.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.668 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -85.52 138.11 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.546 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 12.6 m-85 -144.93 128.7 17.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 80' ' ' SER . 22.7 t-20 -83.86 96.45 8.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 65.73 -59.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 78' ' ' ASN . 3.7 t -145.81 -39.81 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.13 161.3 22.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.522 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 6.0 t80 -98.07 145.97 26.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 111.058 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -115.52 -55.76 2.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.522 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 170.75 179.0 41.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.145 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 88' ' ' ALA . 25.6 p-10 -108.63 176.94 4.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.421 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.0 OUTLIER -37.88 -36.08 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 110.945 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -63.23 -55.0 28.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 85' ' ' ASP . . . -64.33 -28.61 69.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -68.02 -51.98 40.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -60.61 -47.5 85.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -55.46 -50.7 69.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.23 -25.57 67.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.633 ' HA ' HG23 ' A' ' 98' ' ' VAL . 25.6 ttp85 -73.14 -55.89 5.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.452 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 1.6 mm-40 -53.71 -35.3 61.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.143 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -84.71 7.72 19.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.8 m120 45.54 48.16 11.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -139.37 31.04 2.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.738 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 1.4 t -60.13 -55.44 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -46.09 -40.35 10.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.54 -36.55 78.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -73.98 -10.02 59.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.668 ' CD2' HG21 ' A' ' 76' ' ' ILE . 31.3 mt -112.64 2.32 16.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 67.77 18.2 70.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.163 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.566 HD21 HG12 ' A' ' 10' ' ' ILE . 23.7 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 103' ' ' GLY . 73.6 mtp . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.48 0.181 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.1 t -75.71 141.29 16.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 42' ' ' GLU . 10.5 mm -105.28 105.56 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -101.43 123.61 45.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 t -107.91 128.49 63.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 19.6 m-85 -97.76 97.35 8.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 46' ' ' ILE . 2.7 pt -105.26 -178.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -126.82 65.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 15' ' ' ALA . 29.9 t . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.0 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.11 -53.06 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.1 mt -57.08 -63.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -40.0 -56.69 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -54.81 -60.93 2.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -43.8 -57.49 3.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.406 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 29.4 mt-30 -52.6 -46.51 67.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.26 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -70.11 -15.7 63.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 110.25 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 25' ' ' LYS . 5.0 t0 -82.28 -35.51 27.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.574 HG22 ' CD2' ' A' ' 89' ' ' PHE . 41.8 t -81.12 -34.34 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.0 mt -76.75 -55.41 5.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.237 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.27 -37.7 18.21 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.499 ' CD1' ' ND2' ' A' ' 37' ' ' ASN . 60.7 t80 -64.69 -53.65 44.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 0.755 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.625 HD22 HG21 ' A' ' 39' ' ' ILE . 26.7 mt -62.31 -17.0 57.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -88.66 -39.17 14.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.86 -28.43 55.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.499 ' ND2' ' CD1' ' A' ' 33' ' ' PHE . 26.3 m-80 -89.9 8.56 31.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm 44.99 47.59 9.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.625 HG21 HD22 ' A' ' 34' ' ' LEU . 67.1 mt -90.62 154.51 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.71 78.92 1.15 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.537 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 35.4 p90 -111.02 175.97 5.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 0.782 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.1 mm-40 -130.73 150.62 51.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -104.62 112.79 26.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 14' ' ' ILE . 13.0 mmmt -115.03 110.81 20.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.401 ' OD1' ' HB3' ' A' ' 47' ' ' ALA . 3.8 t70 -88.35 131.3 34.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.489 HD12 ' HG3' ' A' ' 53' ' ' ARG . 16.5 pt -97.44 -27.24 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.401 ' HB3' ' OD1' ' A' ' 45' ' ' ASP . . . -52.94 -60.83 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.15 57.05 1.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 169.43 93.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -70.42 -52.56 21.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.279 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 12.9 pt-20 -37.12 -47.38 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.316 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.468 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 7.0 m-20 -61.89 -50.47 72.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.489 ' HG3' HD12 ' A' ' 46' ' ' ILE . 23.9 ttt180 -62.48 -54.03 46.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 1.3 ttmm -50.53 -64.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.424 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 77.0 t90 -48.08 -62.03 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 107.983 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.564 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 6.7 ttp -45.53 -49.65 13.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.54 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 47.8 mtt180 -52.22 -42.4 63.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.73 -22.95 62.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 4.2 m-80 -83.22 -49.02 9.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.871 HG11 ' HG3' ' A' ' 71' ' ' PRO . 7.0 t -40.6 134.76 1.59 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.497 ' HD3' ' CG ' ' A' ' 82' ' ' TYR . 18.2 Cg_endo -74.98 153.97 42.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -65.67 -21.65 66.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.38 -7.73 59.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.1 t -109.18 -27.34 9.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.979 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.28 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.54 ' CD1' ' HD3' ' A' ' 57' ' ' ARG . 58.1 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.481 0.181 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.871 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.01 139.01 23.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.7 mt -88.82 149.56 43.95 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.526 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.03 168.43 24.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.526 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.02 164.73 87.73 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.963 -2.515 . . . . 0.0 111.023 0.021 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -134.42 110.44 9.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.427 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -82.96 139.02 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.547 ' CE2' ' HB2' ' A' ' 82' ' ' TYR . 11.1 m-85 -146.88 129.04 15.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.516 ' O ' ' N ' ' A' ' 80' ' ' SER . 24.7 t-20 -83.52 96.82 8.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 65.92 -62.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -143.51 -38.3 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 109.985 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.2 162.9 26.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.547 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 3.3 t80 -100.94 141.86 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -111.72 -55.12 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.506 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 176.92 -176.96 48.23 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -112.99 179.65 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -39.9 -37.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.976 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.83 -58.76 6.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.69 -31.57 70.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.574 ' CD2' HG22 ' A' ' 30' ' ' VAL . 21.1 t80 -64.73 -52.84 54.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.424 ' CE2' ' CD ' ' A' ' 94' ' ' GLU . 43.1 t80 -61.09 -49.38 77.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -54.06 -54.57 37.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.19 -22.64 30.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.648 ' HA ' HG23 ' A' ' 98' ' ' VAL . 29.9 ttp180 -81.6 -49.07 10.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.424 ' CD ' ' CE2' ' A' ' 90' ' ' PHE . 5.6 mt-10 -57.15 -36.97 71.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -86.16 9.88 16.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.9 m120 44.99 62.04 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -153.7 25.46 0.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.648 HG23 ' HA ' ' A' ' 93' ' ' ARG . 1.5 t -53.69 -58.64 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.41 ' N ' HG12 ' A' ' 98' ' ' VAL . 12.1 m-85 -42.28 -41.75 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.99 90.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 98' ' ' VAL . 22.2 t80 -68.57 -10.51 56.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.427 ' CD2' HG21 ' A' ' 76' ' ' ILE . 27.2 mt -112.69 -5.18 13.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.4 ' O ' ' SD ' ' A' ' 8' ' ' MET . . . 73.82 15.06 79.65 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.441 HD11 HG13 ' A' ' 10' ' ' ILE . 22.4 mt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.446 ' CE ' ' HA3' ' A' ' 103' ' ' GLY . 37.8 mtp . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.507 0.194 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.447 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 1.3 t -75.04 151.18 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.627 HG13 HD11 ' A' ' 104' ' ' LEU . 17.1 mm -118.45 104.28 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 77' ' ' PHE . 42.4 mtt180 -101.1 125.74 47.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.261 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.51 HG12 HG23 ' A' ' 14' ' ' ILE . 47.9 t -107.32 130.11 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 22.2 m-85 -99.9 95.36 6.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.51 HG23 HG12 ' A' ' 12' ' ' VAL . 3.0 pt -105.06 164.96 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.432 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -113.88 65.54 0.66 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 15' ' ' ALA . 30.3 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.046 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.03 -57.74 10.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.419 HG22 ' NE2' ' A' ' 27' ' ' GLN . 3.9 mt -55.98 -60.05 2.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' ILE . 7.8 mtpt -39.95 -55.36 2.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.113 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -59.22 -64.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -40.59 -57.87 1.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.419 ' NE2' HG22 ' A' ' 23' ' ' ILE . 30.9 mt-30 -51.58 -57.71 8.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -57.63 -21.31 38.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 25' ' ' LYS . 5.0 t70 -78.33 -33.66 49.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.586 HG22 ' CD2' ' A' ' 89' ' ' PHE . 77.5 t -82.0 -31.83 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.457 HD11 HD13 ' A' ' 14' ' ' ILE . 87.7 mt -79.24 -54.25 6.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.235 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.52 -37.44 19.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.608 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 59.8 t80 -64.42 -53.0 55.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 0.74 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.628 HD22 HG21 ' A' ' 39' ' ' ILE . 28.7 mt -63.26 -18.78 63.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -85.22 -44.73 12.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.64 -32.49 71.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -87.3 5.1 40.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 45.27 48.07 10.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.628 HG21 HD22 ' A' ' 34' ' ' LEU . 22.5 mt -86.52 151.48 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.75 70.56 3.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.549 1.155 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 28.4 p90 -106.61 176.19 5.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 10' ' ' ILE . 2.7 mm-40 -133.64 151.21 51.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -106.32 118.42 36.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.352 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -116.26 105.23 12.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -80.61 123.11 27.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.577 HD12 ' CD ' ' A' ' 53' ' ' ARG . 22.5 pt -93.7 -11.95 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.09 50.32 1.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -175.12 -67.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -93.83 90.81 6.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -50.72 -45.26 58.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' GLU . 11.2 pt-20 -36.35 -41.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -68.91 -55.67 10.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.577 ' CD ' HD12 ' A' ' 46' ' ' ILE . 31.3 ttt180 -56.64 -46.04 81.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -58.85 -67.68 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.74 ' CH2' ' ND2' ' A' ' 59' ' ' ASN . 89.0 t90 -45.48 -53.76 8.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 108.011 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.57 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 5.8 ttp -54.87 -40.42 69.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -64.58 -32.74 74.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -83.12 -20.47 34.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.74 ' ND2' ' CH2' ' A' ' 55' ' ' TRP . 3.9 m-20 -81.41 -55.65 4.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.581 HG11 ' HG3' ' A' ' 71' ' ' PRO . 76.4 t -44.31 128.63 4.67 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 154.27 42.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.489 1.783 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -64.57 -38.09 89.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -65.91 -11.46 47.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 32.7 m -110.45 -19.11 13.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.481 0.181 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.581 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -75.02 122.79 7.41 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.557 1.82 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 72' ' ' LEU . 13.8 mt -82.3 150.24 63.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.513 ' HA ' ' C ' ' A' ' 74' ' ' PRO . 18.1 Cg_endo -75.01 167.26 27.42 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.488 1.783 . . . . 0.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 73' ' ' PRO . 18.5 Cg_endo -74.97 166.77 82.37 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.004 -2.498 . . . . 0.0 111.005 -0.053 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 -138.23 110.77 7.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.699 HD11 ' HB2' ' A' ' 89' ' ' PHE . 2.7 mp -76.48 127.19 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' A' ' 11' ' ' ARG . 1.8 m-85 -141.98 130.73 22.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' SER . 18.6 t-20 -102.59 98.35 8.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 62.82 -76.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.27 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -141.4 12.95 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.982 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 82' ' ' TYR . 4.1 tt0 -112.12 142.56 44.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.453 ' N ' ' HG3' ' A' ' 81' ' ' GLN . 9.9 t80 -95.82 115.22 27.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.682 HH21 ' N ' ' A' ' 103' ' ' GLY . 11.5 mmm180 -86.98 -53.1 5.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.427 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 169.43 -162.6 36.19 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.122 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -121.5 -171.43 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -44.93 -37.22 3.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.14 -55.24 34.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.65 -34.02 76.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.257 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.699 ' HB2' HD11 ' A' ' 76' ' ' ILE . 10.7 t80 -63.33 -37.53 87.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -77.27 -50.77 12.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -53.32 -56.11 19.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.66 -25.66 28.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.628 ' HA ' HG23 ' A' ' 98' ' ' VAL . 42.9 ttp85 -78.85 -44.36 23.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.58 -38.43 81.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -84.54 7.88 18.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 49.3 53.89 11.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -147.84 37.78 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.628 HG23 ' HA ' ' A' ' 93' ' ' ARG . 1.4 t -65.07 -60.01 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.451 ' N ' HG12 ' A' ' 98' ' ' VAL . 17.9 m-85 -42.79 -45.02 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.52 -41.99 96.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -67.32 -11.9 58.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.578 ' CD2' HG21 ' A' ' 76' ' ' ILE . 29.5 mt -112.7 1.89 15.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.682 ' N ' HH21 ' A' ' 83' ' ' ARG . . . 66.74 21.71 71.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.627 HD11 HG13 ' A' ' 10' ' ' ILE . 17.9 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ptt? . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.511 0.196 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.489 HG11 ' HE ' ' A' ' 11' ' ' ARG . 1.3 t -86.48 137.33 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.541 HG12 HD21 ' A' ' 104' ' ' LEU . 7.7 mm -100.85 105.13 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.489 ' HE ' HG11 ' A' ' 9' ' ' VAL . 22.8 mtt180 -101.3 127.97 47.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -113.7 130.84 67.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.405 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 29.0 m-85 -99.1 97.71 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.1 pt -105.23 168.11 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -115.6 63.65 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' ALA . 37.2 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.1 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.41 -53.53 5.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.7 mt -53.72 -58.53 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 23' ' ' ILE . 41.3 mtmt -40.36 -54.99 2.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -57.6 -62.74 1.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.456 ' HG2' ' CE2' ' A' ' 86' ' ' TYR . 24.4 mttt -40.59 -59.11 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -51.15 -49.06 61.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -63.61 -27.79 69.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 25' ' ' LYS . 17.1 t0 -70.96 -30.34 66.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.7 t -81.54 -30.76 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.1 mt -79.18 -54.24 6.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.54 -42.63 35.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.616 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 38.8 t80 -61.05 -54.84 39.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 0.771 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.583 HD23 HD12 ' A' ' 39' ' ' ILE . 43.1 mt -60.09 -25.4 65.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -79.73 -41.4 26.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.297 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.46 -25.97 60.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -91.73 4.38 52.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt 48.09 48.33 18.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.583 HD12 HD23 ' A' ' 34' ' ' LEU . 74.7 mt -92.86 146.94 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.64 74.47 2.35 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 47.9 p90 -103.73 175.95 5.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.6 mm-40 -130.56 150.4 51.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -105.11 111.22 23.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -112.26 118.83 36.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.67 132.43 35.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.63 HD12 ' HE ' ' A' ' 53' ' ' ARG . 17.1 pt -104.68 -21.63 5.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.5 -57.95 8.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.73 -86.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -43.63 114.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -54.71 5.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 9.8 pt-20 -39.45 -47.49 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.257 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.476 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 9.8 m-20 -58.17 -50.39 73.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.63 ' HE ' HD12 ' A' ' 46' ' ' ILE . 12.5 ttt180 -63.54 -53.3 54.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 110.348 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 55' ' ' TRP . 1.7 ttmm -56.51 -64.85 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.607 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 92.2 t90 -41.93 -61.57 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 107.987 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.46 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 2.2 ttp -43.69 -48.27 7.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.562 ' NE ' ' CG ' ' A' ' 70' ' ' TYR . 0.7 OUTLIER -59.0 -39.28 81.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.31 -13.32 60.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.607 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 2.1 m-80 -94.79 -51.58 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.794 HG11 ' HG3' ' A' ' 71' ' ' PRO . 16.3 t -40.22 132.22 1.6 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.42 ' HD3' ' CG ' ' A' ' 82' ' ' TYR . 18.5 Cg_endo -74.89 154.39 43.04 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -59.88 -45.11 93.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -58.12 -17.02 15.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.6 t -98.9 -30.26 12.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.562 ' CG ' ' NE ' ' A' ' 57' ' ' ARG . 81.5 m-85 . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.505 0.193 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.794 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.97 129.53 12.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.5 mt -83.41 151.1 61.74 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.525 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.03 168.4 24.89 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.525 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.1 Cg_endo -75.0 170.24 72.38 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.942 0.044 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -139.96 112.15 7.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.473 HG21 ' CD2' ' A' ' 102' ' ' LEU . 3.0 mp -82.35 139.05 18.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.553 ' CE1' ' HB2' ' A' ' 82' ' ' TYR . 11.4 m-85 -146.83 128.8 15.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' A' ' 80' ' ' SER . 23.2 t-20 -86.08 96.35 9.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 66.5 -59.79 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -145.78 -37.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.99 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 160.97 29.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.553 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 1.9 t80 -100.85 141.01 34.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -108.86 -59.91 1.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.462 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . -178.49 -176.13 46.15 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -110.33 -176.82 3.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.456 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 3.2 t80 -45.11 -36.94 3.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -61.47 -51.93 66.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.12 -32.21 73.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -65.57 -41.1 93.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -70.58 -46.68 63.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -58.87 -52.41 65.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.14 -23.74 56.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.54 ' HA ' HG23 ' A' ' 98' ' ' VAL . 2.6 ttp85 -75.01 -54.01 7.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -54.08 -36.76 63.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -83.02 5.59 21.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 47.71 38.79 9.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -128.57 29.55 5.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.616 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -56.82 -58.14 6.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.497 ' N ' HG12 ' A' ' 98' ' ' VAL . 9.5 m-85 -42.56 -42.35 3.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 111.011 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.71 93.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.449 ' N ' ' O ' ' A' ' 98' ' ' VAL . 18.8 t80 -70.45 -9.48 56.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.48 ' O ' HD11 ' A' ' 10' ' ' ILE . 22.6 mt -113.62 1.59 14.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 65.3 27.4 72.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.541 HD21 HG12 ' A' ' 10' ' ' ILE . 22.0 mt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.3 mtm . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.491 0.186 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 t -80.53 136.55 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.522 HG12 HD21 ' A' ' 104' ' ' LEU . 7.6 mm -101.93 104.97 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.2 mtt-85 -101.09 123.69 45.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -107.12 129.84 60.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 16.2 m-85 -98.07 97.67 9.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.0 pt -105.18 173.55 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.53 64.69 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.5 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.939 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.2 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.4 -54.32 6.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.8 mt -59.91 -59.75 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ILE . 43.6 mtmt -40.17 -54.3 2.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.03 -63.23 1.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.545 ' HG2' ' CE2' ' A' ' 86' ' ' TYR . 22.2 mttt -40.79 -58.41 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -50.6 -45.04 57.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -66.8 -35.94 81.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -63.44 -29.28 70.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.8 t -81.46 -36.96 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.6 mt -73.82 -54.66 7.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.03 -42.46 23.31 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.523 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 56.4 t80 -62.01 -56.19 21.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.777 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.567 HD22 HG21 ' A' ' 39' ' ' ILE . 46.0 mt -59.51 -23.35 62.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -82.38 -44.47 16.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.16 -30.23 69.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -89.28 1.73 55.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 mttp 49.57 54.8 10.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.567 HG21 HD22 ' A' ' 34' ' ' LEU . 48.3 mt -96.16 148.62 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.29 71.77 2.77 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 49.9 p90 -102.39 176.32 5.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 0.788 . . . . 0.0 111.048 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.3 mm-40 -131.11 151.02 51.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -105.08 111.82 24.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -112.84 118.6 35.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -90.46 137.83 32.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.58 HD12 ' HG3' ' A' ' 53' ' ' ARG . 17.3 pt -110.56 -17.61 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.41 -54.77 23.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.72 -73.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.94 126.13 28.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -49.36 7.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 52' ' ' ASN . 16.1 pt-20 -38.39 -50.38 1.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 110.349 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.424 ' O ' ' CB ' ' A' ' 56' ' ' MET . 9.7 m-20 -53.02 -53.69 46.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.58 ' HG3' HD12 ' A' ' 46' ' ' ILE . 25.6 ttt180 -60.58 -55.53 32.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -53.4 -65.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.401 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 83.1 t90 -45.81 -60.48 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.568 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 5.7 ttp -45.16 -48.73 12.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.559 ' NE ' ' CD1' ' A' ' 70' ' ' TYR . 11.9 mtp180 -56.82 -41.77 78.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -69.94 -19.16 63.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 2.7 m-80 -88.88 -47.41 8.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.83 HG11 ' HG3' ' A' ' 71' ' ' PRO . 37.9 t -43.89 132.45 4.1 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 151.66 39.94 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.461 1.769 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -64.42 -33.91 76.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -71.28 -7.8 49.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.1 m -112.6 -20.37 11.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.559 ' CD1' ' NE ' ' A' ' 57' ' ' ARG . 27.7 m-85 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.498 0.19 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.83 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.99 131.22 14.06 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.799 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.5 mt -87.33 151.42 51.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.513 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.1 Cg_endo -75.04 167.93 25.92 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.45 1.763 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.513 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.02 155.78 99.94 Favored 'Cis proline' 0 C--N 1.361 1.196 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.006 0.026 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -125.93 110.32 13.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.371 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.558 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.6 mp -83.62 138.86 18.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.568 ' CE1' ' HG3' ' A' ' 56' ' ' MET . 11.3 m-85 -145.39 129.47 17.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.521 ' O ' ' N ' ' A' ' 80' ' ' SER . 20.2 t-20 -84.93 96.83 9.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 65.93 -61.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -145.18 -38.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.05 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.47 163.23 21.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.496 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 14.6 t80 -97.51 149.11 22.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -119.04 -55.68 2.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.496 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 171.01 -174.14 44.74 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.2 p-10 -113.56 177.69 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.275 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.545 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -40.21 -35.46 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 111.056 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.94 -54.34 46.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.37 -34.23 77.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -61.85 -50.78 70.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -60.85 -49.47 77.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -56.27 -54.51 44.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.252 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.29 -23.83 25.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.427 ' N ' HG23 ' A' ' 98' ' ' VAL . 15.4 ttp180 -77.49 -54.4 6.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.75 -37.75 63.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -85.84 9.95 15.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 42.42 57.55 3.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -143.87 17.8 1.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.523 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -48.06 -58.65 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.503 ' N ' HG12 ' A' ' 98' ' ' VAL . 10.0 m-85 -40.98 -45.5 2.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.88 95.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 98' ' ' VAL . 17.0 t80 -67.38 -9.33 40.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.558 ' CD2' HG21 ' A' ' 76' ' ' ILE . 27.2 mt -113.19 -1.45 14.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.85 21.2 76.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.522 HD21 HG12 ' A' ' 10' ' ' ILE . 22.7 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.6 ptt? . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.488 0.185 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.1 t -85.07 140.45 15.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.48 HG12 HD21 ' A' ' 104' ' ' LEU . 10.2 mm -105.2 104.92 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 77' ' ' PHE . 34.2 mtt180 -101.22 129.68 47.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.6 t -116.31 133.3 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 7.5 m-85 -103.2 98.64 8.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.0 pt -105.12 169.97 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.13 65.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.995 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.14 -57.25 4.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.0 mt -51.32 -59.88 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -43.26 -44.41 5.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -67.98 -62.37 1.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -40.75 -59.08 1.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.433 ' HB3' HG21 ' A' ' 14' ' ' ILE . 30.5 mt-30 -49.01 -46.92 44.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -65.24 -30.03 70.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -68.85 -30.7 69.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.0 t -81.68 -38.22 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.2 mt -71.54 -56.65 5.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -46.11 -43.78 13.71 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.703 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 33.6 t80 -61.06 -56.54 19.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 0.795 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.589 HD22 HG21 ' A' ' 39' ' ' ILE . 64.5 mt -58.79 -21.58 56.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -83.43 -41.84 17.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.45 -26.9 62.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -91.94 9.25 33.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm 43.28 50.15 5.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.589 HG21 HD22 ' A' ' 34' ' ' LEU . 71.7 mt -93.07 145.26 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.01 77.4 2.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.451 1.095 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 51.1 p90 -107.22 176.17 5.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.9 OUTLIER -129.8 149.97 51.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -106.57 114.91 29.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 14' ' ' ILE . 11.8 mmmt -114.78 115.38 26.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -87.07 133.39 33.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 14' ' ' ILE . 20.0 pt -107.65 -14.35 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.88 -44.18 93.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.61 -72.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -56.4 122.98 13.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.03 -56.88 3.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.477 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 9.4 pt-20 -38.88 -47.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.477 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 9.0 m-20 -54.06 -60.18 3.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.475 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 38.5 ttt180 -55.44 -57.45 11.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 1.3 ttmm -49.88 -68.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.737 ' CZ2' ' ND2' ' A' ' 59' ' ' ASN . 89.7 t90 -43.75 -55.52 4.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 108.033 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.595 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 3.8 ttp -48.07 -46.41 33.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.428 ' NE ' ' CD1' ' A' ' 70' ' ' TYR . 9.6 mtt180 -60.46 -42.33 95.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.12 -17.02 63.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.737 ' ND2' ' CZ2' ' A' ' 55' ' ' TRP . 3.1 m120 -90.83 -53.11 4.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.655 HG11 ' HG3' ' A' ' 71' ' ' PRO . 25.2 t -40.56 129.63 1.8 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.39 36.61 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.47 -20.34 66.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -81.56 -9.78 59.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 m -111.35 -23.88 10.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.271 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.428 ' CD1' ' NE ' ' A' ' 57' ' ' ARG . 79.2 m-85 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.504 0.192 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.655 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.98 115.26 4.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.469 1.773 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.8 mt -74.94 149.22 85.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.512 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.03 168.04 25.7 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.559 1.821 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.512 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -74.99 170.63 71.33 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.986 0.055 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.497 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 56.4 mm-40 -143.09 111.35 6.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 110.29 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.561 HG21 ' CD2' ' A' ' 102' ' ' LEU . 3.2 mp -82.97 135.16 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.595 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 55.8 m-85 -141.83 128.96 20.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 80' ' ' SER . 34.1 t-20 -86.44 97.38 10.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 66.39 -66.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -141.02 -36.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.996 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.53 171.23 6.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.508 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 6.7 t80 -108.64 145.31 35.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -113.26 -59.05 2.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.508 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 175.27 176.54 43.62 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -102.39 179.65 4.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.438 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 1.1 t80 -41.82 -37.47 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -58.17 8.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.61 -29.63 69.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.519 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 6.8 t80 -68.94 -34.91 76.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 90' ' ' PHE . 3.3 t80 -76.28 -48.37 20.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.425 ' HA ' ' CG ' ' A' ' 94' ' ' GLU . 17.0 tt0 -56.0 -33.62 65.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . -79.25 -17.63 54.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.617 ' CA ' HG23 ' A' ' 98' ' ' VAL . 42.5 ttp180 -86.53 -51.42 6.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.425 ' CG ' ' HA ' ' A' ' 91' ' ' GLU . 0.3 OUTLIER -55.61 -34.78 65.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.357 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -88.48 9.29 24.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.339 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 47.22 53.31 10.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -142.25 24.74 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.703 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -53.1 -59.19 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.495 ' N ' HG12 ' A' ' 98' ' ' VAL . 9.7 m-85 -40.7 -45.19 2.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.87 -44.56 95.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.519 ' CE2' ' HA ' ' A' ' 89' ' ' PHE . 23.8 t80 -66.45 -8.51 26.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.561 ' CD2' HG21 ' A' ' 76' ' ' ILE . 19.4 mt -114.92 -0.83 13.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.54 18.99 74.25 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.48 HD21 HG12 ' A' ' 10' ' ' ILE . 21.8 mt . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.477 0.751 . . . . 0.0 109.274 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' A' ' 103' ' ' GLY . 90.3 mtp . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.532 0.206 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.435 ' CG1' ' OE2' ' A' ' 42' ' ' GLU . 0.9 OUTLIER -76.41 142.79 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.653 HG13 HD11 ' A' ' 104' ' ' LEU . 9.4 mm -104.66 108.32 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.451 ' NH2' ' OH ' ' A' ' 13' ' ' TYR . 26.9 mtp180 -100.58 126.7 47.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.494 HG12 HG23 ' A' ' 14' ' ' ILE . 57.7 t -113.49 126.71 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 4.0 m-85 -100.64 98.07 8.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.494 HG23 HG12 ' A' ' 12' ' ' VAL . 2.4 pt -105.29 179.65 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -126.66 67.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 15' ' ' ALA . 13.3 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.33 -57.56 2.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mt -55.14 -63.78 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -40.25 -50.52 2.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -60.57 -65.5 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HD3' ' CD1' ' A' ' 86' ' ' TYR . 31.4 mttt -40.39 -56.78 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -51.43 -52.45 46.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -63.67 -22.69 67.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 25' ' ' LYS . 1.6 t70 -76.66 -32.84 58.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.493 HG21 ' HG2' ' A' ' 74' ' ' PRO . 79.4 t -81.04 -31.24 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 78.8 mt -79.42 -54.37 5.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.64 -37.42 13.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.627 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 68.8 t80 -64.44 -58.24 6.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.703 HD22 HG21 ' A' ' 39' ' ' ILE . 22.7 mt -57.29 -19.15 20.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -86.06 -48.46 8.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.97 -30.71 70.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -88.11 2.87 51.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.588 1.18 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm 50.2 42.22 25.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.703 HG21 HD22 ' A' ' 34' ' ' LEU . 16.7 mt -83.88 152.99 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.05 81.92 1.29 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.535 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 31.0 p90 -115.75 175.66 5.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.2 mt-10 -133.41 138.15 46.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -92.62 114.65 27.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 14' ' ' ILE . 5.9 mmmt -115.06 120.43 39.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -93.45 127.52 39.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.683 HD12 ' HG3' ' A' ' 53' ' ' ARG . 18.9 pt -94.1 -21.68 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.2 50.7 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -175.12 -55.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -98.67 84.52 3.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.56 -46.75 14.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 13.6 pt-20 -40.38 -47.47 2.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 56' ' ' MET . 5.5 m-20 -61.9 -59.36 5.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.683 ' HG3' HD12 ' A' ' 46' ' ' ILE . 12.5 ttt180 -52.25 -48.31 65.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.358 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.427 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 2.9 tttp -58.93 -73.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.239 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.751 ' CZ2' ' ND2' ' A' ' 59' ' ' ASN . 84.9 t90 -43.5 -52.33 6.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 108.009 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.589 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 4.9 ttp -53.79 -40.31 66.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.64 ' NE ' ' CE1' ' A' ' 70' ' ' TYR . 11.0 mtp180 -66.99 -32.3 73.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.84 -13.68 57.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.751 ' ND2' ' CZ2' ' A' ' 55' ' ' TRP . 3.7 m-20 -90.03 -52.8 4.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.713 HG11 ' HG3' ' A' ' 71' ' ' PRO . 25.1 t -39.7 132.6 1.39 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.11 37.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.511 1.795 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -66.95 -13.27 61.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 110.26 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -88.56 -9.42 52.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 m -111.22 -22.97 11.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.01 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.247 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.64 ' CE1' ' NE ' ' A' ' 57' ' ' ARG . 61.5 m-85 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.439 0.161 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.713 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.96 123.68 8.09 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.53 1.805 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.3 mt -77.08 149.94 80.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.541 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.01 168.87 23.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.794 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.541 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -74.99 172.64 62.0 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.987 -2.506 . . . . 0.0 111.01 -0.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.437 ' HG2' ' HA ' ' A' ' 73' ' ' PRO . 47.0 mm-40 -143.15 110.69 5.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.341 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.675 HG21 ' CD2' ' A' ' 102' ' ' LEU . 3.3 mt -84.75 137.8 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.589 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 43.2 m-85 -143.47 128.96 19.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' A' ' 80' ' ' SER . 18.8 t-20 -84.3 96.36 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 66.06 -58.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.3 OUTLIER -148.98 -40.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.72 162.79 12.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.412 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 6.5 t80 -99.46 138.45 36.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -109.95 -62.2 1.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.35 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -179.78 -178.02 48.24 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.587 1.179 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 88' ' ' ALA . 36.2 p-10 -113.99 178.01 4.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.461 ' CD1' ' HD3' ' A' ' 26' ' ' LYS . 1.7 t80 -39.03 -36.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.33 -53.97 49.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 85' ' ' ASP . . . -64.69 -35.69 81.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.484 ' CD2' HG22 ' A' ' 30' ' ' VAL . 16.4 t80 -58.82 -47.78 83.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -64.43 -53.06 54.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -52.12 -56.62 13.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.17 -27.2 44.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.8 ttp85 -74.43 -51.51 14.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -52.01 -39.65 59.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -87.6 11.97 13.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 42.45 53.21 4.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -133.98 11.86 3.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.627 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -42.46 -62.96 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.621 ' N ' HG12 ' A' ' 98' ' ' VAL . 14.8 m-85 -41.54 -47.57 3.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.12 95.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 98' ' ' VAL . 9.2 t80 -70.1 -12.41 61.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.99 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.675 ' CD2' HG21 ' A' ' 76' ' ' ILE . 31.0 mt -111.22 2.75 17.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.402 ' O ' ' SD ' ' A' ' 8' ' ' MET . . . 66.84 15.57 64.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.653 HD11 HG13 ' A' ' 10' ' ' ILE . 17.8 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.785 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.0 ptt? . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.479 0.18 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -85.91 150.68 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 42' ' ' GLU . 11.7 mm -117.21 106.78 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.453 ' NH2' ' OH ' ' A' ' 13' ' ' TYR . 29.4 mtp180 -100.15 123.43 44.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.471 HG12 HG23 ' A' ' 14' ' ' ILE . 89.2 t -108.04 126.67 64.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 4.2 m-85 -101.01 100.41 11.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.471 HG23 HG12 ' A' ' 12' ' ' VAL . 2.6 pt -104.8 164.25 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -109.43 62.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 15' ' ' ALA . 30.2 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.04 -57.69 2.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.7 mt -55.19 -62.35 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' ILE . 38.0 mtmt -39.11 -59.51 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -54.54 -62.59 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -42.28 -58.51 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.407 ' HB3' HG21 ' A' ' 14' ' ' ILE . 31.2 mt-30 -51.5 -45.3 62.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -68.76 -22.47 64.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 25' ' ' LYS . 2.9 t70 -76.29 -31.55 58.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.468 HG21 ' HG2' ' A' ' 74' ' ' PRO . 75.8 t -81.81 -35.55 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.9 mt -74.05 -56.41 4.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -45.94 -45.56 14.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.591 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 50.7 t80 -59.51 -58.34 9.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 0.758 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.787 HD23 HD12 ' A' ' 39' ' ' ILE . 64.8 mt -55.82 -23.12 28.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -82.29 -42.25 19.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.33 -26.17 61.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -92.3 6.66 46.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm 44.26 50.23 7.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.787 HD12 HD23 ' A' ' 34' ' ' LEU . 97.0 mt -92.21 147.46 5.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.26 77.05 2.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 45.7 p90 -109.66 176.43 5.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.3 mm-40 -132.79 149.67 52.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.318 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -104.96 117.82 34.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 14' ' ' ILE . 4.8 mmmt -118.82 121.9 41.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -91.55 126.5 36.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.458 HD12 ' NE ' ' A' ' 53' ' ' ARG . 30.4 pt -97.0 -19.31 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.44 -58.26 9.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.12 -76.45 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -49.74 114.87 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.78 -53.26 6.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 52' ' ' ASN . 13.4 pt-20 -40.41 -52.16 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.418 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 1.3 m120 -53.24 -58.98 5.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.458 ' NE ' HD12 ' A' ' 46' ' ' ILE . 45.4 ttt180 -55.05 -55.78 27.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 1.7 tttp -52.53 -68.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.741 ' CH2' ' ND2' ' A' ' 59' ' ' ASN . 76.0 t90 -44.17 -50.69 8.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 107.979 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.572 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 6.9 ttp -53.56 -49.75 67.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.572 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 81.5 mtm180 -60.67 -24.53 65.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -89.37 -22.3 22.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.741 ' ND2' ' CH2' ' A' ' 55' ' ' TRP . 3.0 m120 -83.72 -48.17 10.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.842 HG11 ' HG3' ' A' ' 71' ' ' PRO . 25.3 t -40.75 133.31 1.74 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 150.0 37.8 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.53 1.805 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -66.07 -17.75 64.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -85.49 -6.76 59.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.8 m -117.86 -8.48 10.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 57' ' ' ARG . 14.6 mtt180 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 57' ' ' ARG . 30.1 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.554 0.216 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.842 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.04 135.16 18.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.4 mt -96.23 154.53 38.74 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.516 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.0 168.04 25.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.803 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.516 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -74.96 155.15 99.99 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.988 -0.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -125.28 111.63 15.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.552 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -83.9 128.11 39.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 7.9 m-85 -136.13 129.6 32.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 80' ' ' SER . 18.3 t-20 -90.12 98.45 11.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 57.49 -84.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.233 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -122.68 -4.99 8.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -101.68 166.82 10.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.437 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 19.4 t80 -111.28 151.54 28.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -119.56 -62.65 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.437 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 176.66 -170.07 42.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -113.37 -175.96 2.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 0.751 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.414 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.0 OUTLIER -44.74 -32.82 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.76 -59.51 4.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.7 -34.05 72.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.404 ' CD2' HG22 ' A' ' 30' ' ' VAL . 15.5 t80 -62.09 -52.29 64.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -61.06 -48.02 83.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -58.18 -53.25 60.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.71 -23.13 27.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.531 ' HA ' HG23 ' A' ' 98' ' ' VAL . 22.1 ttp180 -80.25 -45.19 18.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -61.1 -40.06 92.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -81.0 2.9 24.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 52.88 51.75 15.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -143.16 31.93 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.591 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -59.59 -62.18 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.281 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.55 ' N ' HG12 ' A' ' 98' ' ' VAL . 7.8 m-85 -40.17 -43.17 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.12 -44.97 86.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' A' ' 98' ' ' VAL . 17.9 t80 -64.48 -10.54 26.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.552 ' CD2' HG21 ' A' ' 76' ' ' ILE . 30.9 mt -112.48 -1.17 15.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.45 21.78 76.19 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.5 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.432 ' CE ' ' O ' ' A' ' 103' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.494 0.188 . . . . 0.0 111.018 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 t -89.86 137.98 20.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.586 HG12 HD21 ' A' ' 104' ' ' LEU . 8.4 mm -103.06 104.54 16.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -100.83 125.05 47.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.4 t -108.8 135.28 48.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 21.6 m-85 -103.08 94.76 5.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.959 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 44' ' ' LYS . 1.9 pt -104.63 -177.25 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -131.92 71.95 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.165 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 15' ' ' ALA . 6.6 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 110.023 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.62 -49.26 2.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mt -54.95 -60.99 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -41.19 -48.84 3.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -63.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -40.66 -57.91 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.421 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 29.2 mt-30 -51.76 -43.93 63.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -67.17 -21.89 65.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.254 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -79.01 -33.51 44.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.488 HG21 ' HG2' ' A' ' 74' ' ' PRO . 61.6 t -80.84 -32.36 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.2 mt -79.0 -54.59 5.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.409 1.068 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.78 -38.79 37.74 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.445 1.09 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.441 ' CE2' HG11 ' A' ' 98' ' ' VAL . 56.9 t80 -62.7 -55.65 24.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.572 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 23.9 mt -58.64 -22.72 57.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -81.64 -43.03 19.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.252 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.48 -28.07 63.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -90.0 2.5 55.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.257 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt 49.06 52.51 14.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.552 HG21 HD22 ' A' ' 34' ' ' LEU . 47.6 mt -95.62 146.73 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.55 75.07 2.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 44.5 p90 -107.95 176.35 5.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -131.24 150.65 52.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -103.29 112.4 25.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 1.135 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' ILE . 13.9 mmmt -113.39 115.0 27.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 47' ' ' ALA . 24.9 t0 -89.82 124.08 34.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.617 HD12 ' NE ' ' A' ' 53' ' ' ARG . 11.0 pt -89.98 -37.07 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.445 ' N ' ' OD1' ' A' ' 45' ' ' ASP . . . -42.86 -70.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.57 -78.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -61.05 95.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 53' ' ' ARG . 10.6 pt-20 -66.65 -53.02 38.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 15.7 pt-20 -38.34 -41.27 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -57.44 -51.22 70.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.617 ' NE ' HD12 ' A' ' 46' ' ' ILE . 20.8 ttt180 -63.12 -38.62 91.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -65.92 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.451 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 40.0 t90 -50.08 -58.01 6.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 107.986 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.578 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 3.6 ttp -51.07 -51.52 52.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.647 ' CZ ' ' CG ' ' A' ' 70' ' ' TYR . 36.4 mtt180 -47.99 -35.75 11.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.21 -49.1 24.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 31.6 m-80 -54.55 -51.69 64.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.888 HG11 ' HG3' ' A' ' 71' ' ' PRO . 44.8 t -38.83 128.82 1.17 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 151.99 40.46 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.512 1.796 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -64.96 -33.74 76.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.345 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -71.32 -7.17 45.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.8 m -116.31 -8.83 11.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.647 ' CG ' ' CZ ' ' A' ' 57' ' ' ARG . 67.7 m-85 . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.52 0.2 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.888 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.02 119.33 5.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.8 mt -73.39 149.03 88.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.519 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -74.95 168.18 25.41 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.519 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.02 167.72 79.6 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.988 0.003 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.438 ' HG2' ' HA ' ' A' ' 73' ' ' PRO . 59.3 mm-40 -138.31 110.8 7.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.343 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.472 HG21 HD23 ' A' ' 102' ' ' LEU . 3.0 mp -77.88 133.6 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.518 ' CE1' ' HG3' ' A' ' 56' ' ' MET . 5.0 m-85 -142.09 129.6 21.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 80' ' ' SER . 1.4 t30 -90.25 99.51 12.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.4 ' OE2' ' ND2' ' A' ' 78' ' ' ASN . 20.6 mt-10 58.37 -82.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -127.57 0.32 6.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -105.17 168.17 9.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.522 ' CD1' ' N ' ' A' ' 83' ' ' ARG . 11.7 t80 -107.39 156.98 18.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.522 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 30.6 mmm180 -128.06 -61.84 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.335 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.483 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 176.27 -174.89 47.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -105.78 -172.71 2.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 0.0 109.349 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.2 t80 -50.46 -33.73 22.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.057 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.87 -56.59 17.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.39 -31.49 71.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.473 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 28.3 t80 -66.67 -43.03 85.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -69.99 -46.74 64.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -58.11 -49.54 76.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.13 -26.22 66.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.637 ' HA ' HG23 ' A' ' 98' ' ' VAL . 19.4 ttp180 -72.98 -56.22 5.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -57.13 -33.35 67.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -85.96 9.19 17.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 42.51 57.63 3.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -147.57 21.4 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.637 HG23 ' HA ' ' A' ' 93' ' ' ARG . 1.6 t -51.01 -57.47 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -43.36 -41.7 4.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.443 ' O ' ' NH2' ' A' ' 83' ' ' ARG . . . -68.0 -38.97 83.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.473 ' CE2' ' HA ' ' A' ' 89' ' ' PHE . 11.3 t80 -71.39 -9.56 58.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.496 ' O ' HD11 ' A' ' 10' ' ' ILE . 34.1 mt -112.29 -0.03 15.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.432 ' O ' ' CE ' ' A' ' 8' ' ' MET . . . 67.34 23.75 73.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.586 HD21 HG12 ' A' ' 10' ' ' ILE . 20.4 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.743 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.464 ' CE ' ' HA3' ' A' ' 103' ' ' GLY . 12.9 mtp . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.509 0.195 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.456 HG11 ' HE ' ' A' ' 11' ' ' ARG . 1.3 t -72.75 140.78 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.587 HG13 HD11 ' A' ' 104' ' ' LEU . 9.3 mm -106.49 104.63 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.456 ' HE ' HG11 ' A' ' 9' ' ' VAL . 20.0 mtt180 -101.0 128.94 46.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.6 t -114.07 136.85 49.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 23.8 m-85 -104.35 96.37 6.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 44' ' ' LYS . 2.3 pt -104.92 -179.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -128.62 70.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' ALA . 12.5 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.563 0.22 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.9 -56.6 3.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mt -53.58 -59.3 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -41.07 -52.61 3.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -61.0 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -41.09 -58.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.422 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 30.3 mt-30 -51.46 -46.44 63.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -65.28 -24.23 67.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.323 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -74.79 -31.3 61.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.409 HG22 ' CD2' ' A' ' 89' ' ' PHE . 78.0 t -81.62 -30.14 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.1 mt -80.36 -54.13 5.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.82 -44.45 24.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.585 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 67.0 t80 -60.82 -59.18 5.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.589 HD22 HG21 ' A' ' 39' ' ' ILE . 60.9 mt -55.77 -22.23 23.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -83.79 -47.35 11.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.96 -27.79 68.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -90.32 -0.7 57.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mttt 52.29 46.57 26.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.589 HG21 HD22 ' A' ' 34' ' ' LEU . 27.0 mt -88.86 149.17 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.235 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.23 78.22 1.96 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 50.0 p90 -109.83 176.26 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 10' ' ' ILE . 2.9 mm-40 -131.69 150.32 52.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -104.21 112.15 25.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' ILE . 11.8 mmmt -113.09 117.55 32.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 24.7 t0 -90.91 126.01 35.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.497 HD12 ' HG3' ' A' ' 53' ' ' ARG . 19.4 pt -94.28 -17.66 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.49 -66.51 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.455 ' HB3' ' OD2' ' A' ' 45' ' ' ASP . . . -84.84 54.8 3.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 48' ' ' ALA . 3.0 m-20 160.35 100.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 53' ' ' ARG . 1.5 pm0 -73.81 -40.91 63.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -39.2 -42.93 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 56' ' ' MET . 19.8 m-20 -70.33 -44.91 67.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.497 ' HG3' HD12 ' A' ' 46' ' ' ILE . 4.2 ttp180 -65.14 -45.64 84.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.17 . . . . 0.0 110.337 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 1.2 ttmm -60.96 -66.35 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.42 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 48.2 t90 -47.41 -59.95 2.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.574 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 7.0 ttp -45.8 -47.53 15.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.642 ' NE ' ' CE1' ' A' ' 70' ' ' TYR . 12.2 mtp180 -58.48 -36.38 73.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.18 -26.61 61.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -82.06 -53.04 6.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.806 HG11 ' HG3' ' A' ' 71' ' ' PRO . 51.3 t -40.87 128.0 1.95 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 152.7 41.27 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.558 1.82 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -64.1 -30.36 71.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.243 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.03 -13.06 61.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.461 ' OG ' ' CZ ' ' A' ' 82' ' ' TYR . 3.7 m -105.75 -25.33 12.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.642 ' CE1' ' NE ' ' A' ' 57' ' ' ARG . 70.8 m-85 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.452 0.168 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.806 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.98 114.58 4.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.543 1.812 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.6 mt -72.37 149.96 91.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.51 ' HA ' ' C ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.04 167.35 27.21 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -75.02 168.78 76.42 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.989 -2.504 . . . . 0.0 111.019 0.031 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.43 ' HG2' ' HA ' ' A' ' 73' ' ' PRO . 63.0 mm-40 -139.45 111.31 7.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.631 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.8 mp -78.0 129.95 36.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.571 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 1.1 m-85 -138.65 129.74 26.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 80' ' ' SER . 3.3 t30 -94.44 98.68 11.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.466 ' OE1' ' ND2' ' A' ' 78' ' ' ASN . 17.6 mt-10 58.24 -81.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -130.8 5.43 4.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.046 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.9 165.17 11.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.48 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 3.1 t80 -110.67 148.49 32.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.42 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 27.7 mmm180 -120.13 -59.2 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.417 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 177.82 -174.32 46.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.133 . . . . 0.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -108.68 -174.98 2.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.442 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 1.1 t80 -45.66 -34.93 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.1 -56.76 15.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.31 -32.33 72.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.506 ' HB2' HD11 ' A' ' 76' ' ' ILE . 8.8 t80 -64.15 -40.36 95.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -73.29 -49.93 24.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -54.49 -55.33 30.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.42 -27.0 33.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.638 ' HA ' HG23 ' A' ' 98' ' ' VAL . 35.0 ttp180 -77.38 -43.11 33.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.256 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.47 -37.02 82.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.239 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -86.43 10.92 13.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.1 m120 44.36 58.75 3.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -150.3 27.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.638 HG23 ' HA ' ' A' ' 93' ' ' ARG . 1.4 t -55.51 -61.24 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.462 ' N ' HG12 ' A' ' 98' ' ' VAL . 27.5 m-85 -41.85 -42.84 2.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.84 -41.95 91.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 98' ' ' VAL . 18.3 t80 -67.94 -11.28 58.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.631 ' CD2' HG21 ' A' ' 76' ' ' ILE . 31.3 mt -112.27 1.15 15.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.464 ' HA3' ' CE ' ' A' ' 8' ' ' MET . . . 69.49 14.18 69.09 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.452 1.095 . . . . 0.0 110.963 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.587 HD11 HG13 ' A' ' 10' ' ' ILE . 19.0 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.8 mtm . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.518 0.199 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 t -80.85 136.16 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.687 HG12 HD21 ' A' ' 104' ' ' LEU . 8.7 mm -100.81 105.41 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 77' ' ' PHE . 40.4 mtt180 -101.28 126.73 48.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.7 t -113.12 133.79 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.424 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 23.4 m-85 -101.9 98.74 8.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.1 pt -105.11 166.09 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -113.14 63.65 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 15' ' ' ALA . 41.1 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.7 -52.6 17.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.411 HG22 ' NE2' ' A' ' 27' ' ' GLN . 4.0 mt -60.67 -59.54 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -40.07 -57.29 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -57.8 -61.73 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -41.07 -58.67 1.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.411 ' NE2' HG22 ' A' ' 23' ' ' ILE . 31.2 mt-30 -52.18 -52.42 52.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -61.61 -20.59 63.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 25' ' ' LYS . 8.3 t70 -78.12 -33.59 50.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.455 HG22 ' CD2' ' A' ' 89' ' ' PHE . 75.0 t -81.33 -32.92 12.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.68 -53.13 7.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.97 -38.1 30.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.557 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 50.5 t80 -64.09 -52.48 59.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.604 HD22 HG21 ' A' ' 39' ' ' ILE . 35.0 mt -63.6 -17.65 63.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -87.65 -43.01 12.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.9 -31.0 65.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -88.39 2.28 52.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt 49.05 54.76 10.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.604 HG21 HD22 ' A' ' 34' ' ' LEU . 51.0 mt -96.26 149.74 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.93 74.59 2.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 37.9 p90 -108.12 176.17 5.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 0.718 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.6 mm-40 -131.18 150.45 52.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -105.29 110.26 22.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 14' ' ' ILE . 10.9 mmmt -109.99 117.83 34.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.67 130.56 34.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.576 HD12 ' CD ' ' A' ' 53' ' ' ARG . 9.0 pt -104.1 -18.04 6.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.63 -70.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.95 -78.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -52.96 117.33 2.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.93 -51.36 8.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 52' ' ' ASN . 11.7 pt-20 -40.64 -51.32 3.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 9.6 m-20 -54.11 -54.12 43.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.576 ' CD ' HD12 ' A' ' 46' ' ' ILE . 34.4 ttt180 -59.27 -54.39 47.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.17 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 55' ' ' TRP . 4.4 tttp -55.19 -65.31 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.753 ' CZ2' ' ND2' ' A' ' 59' ' ' ASN . 89.0 t90 -41.44 -55.11 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.569 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 1.7 ttp -53.41 -43.77 68.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.454 ' O ' ' NH2' ' A' ' 65' ' ' ARG . 16.4 mtp180 -62.27 -21.19 65.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.275 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -95.41 -19.3 20.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 110.271 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.753 ' ND2' ' CZ2' ' A' ' 55' ' ' TRP . 3.2 m120 -84.43 -51.14 7.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.722 HG11 ' HG3' ' A' ' 71' ' ' PRO . 40.6 t -39.82 132.87 1.42 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 60' ' ' VAL . 18.5 Cg_endo -74.95 150.34 38.26 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -66.07 -17.21 64.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.167 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -85.36 -8.61 58.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.456 ' HG ' ' HE1' ' A' ' 82' ' ' TYR . 8.7 m -117.33 -8.67 11.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.037 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.455 ' HG3' HG12 ' A' ' 60' ' ' VAL . 21.3 mtt180 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.447 ' CD1' ' HG2' ' A' ' 57' ' ' ARG . 35.5 m-85 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.491 0.186 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.722 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.5 Cg_endo -74.97 131.8 14.74 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.782 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.718 ' O ' HD12 ' A' ' 72' ' ' LEU . 1.1 pp -92.22 155.2 42.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.238 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.511 ' HA ' ' C ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.0 166.85 28.34 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.771 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.01 160.83 95.98 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.959 -2.517 . . . . 0.0 111.003 0.01 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -133.91 117.81 17.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.553 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.8 mp -92.02 141.21 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.569 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 16.0 m-85 -145.92 128.76 16.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.516 ' O ' ' N ' ' A' ' 80' ' ' SER . 20.3 t-20 -83.51 96.38 8.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 65.93 -61.18 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -144.53 -39.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.003 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.83 162.11 24.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.532 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 14.6 t80 -101.0 140.95 34.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -110.07 -56.7 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.404 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 176.55 -172.18 45.15 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -117.41 -173.02 2.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.75 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.0 OUTLIER -45.56 -35.09 3.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.949 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.27 -54.77 39.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.85 82.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.455 ' CD2' HG22 ' A' ' 30' ' ' VAL . 34.9 t80 -59.15 -47.77 84.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -64.67 -51.95 59.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.048 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -53.42 -57.14 11.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.479 ' HB1' ' HA ' ' A' ' 98' ' ' VAL . . . -52.58 -27.2 15.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.441 ' N ' HG23 ' A' ' 98' ' ' VAL . 7.6 ttp180 -75.29 -51.89 12.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -51.88 -40.11 60.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -87.74 12.79 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 40.66 54.52 3.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -138.37 15.27 2.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.557 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -45.44 -54.61 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.469 ' N ' HG12 ' A' ' 98' ' ' VAL . 11.0 m-85 -45.26 -46.73 12.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.12 96.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -69.97 -10.89 60.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.553 ' CD2' HG21 ' A' ' 76' ' ' ILE . 29.0 mt -112.47 1.74 16.05 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 67.99 15.79 67.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.107 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.687 HD21 HG12 ' A' ' 10' ' ' ILE . 19.4 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.75 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.4 ptt? . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.515 0.198 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 t -88.62 145.73 7.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.44 1.088 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.643 HG12 HD21 ' A' ' 104' ' ' LEU . 14.5 mm -115.09 105.77 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 -100.91 126.31 47.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.469 HG12 HG23 ' A' ' 14' ' ' ILE . 61.4 t -109.59 132.28 58.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.584 ' HD2' HG22 ' A' ' 46' ' ' ILE . 27.9 m-85 -100.75 96.61 7.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.469 HG23 HG12 ' A' ' 12' ' ' VAL . 2.3 pt -104.96 -177.65 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.439 ' N ' ' OE1' ' A' ' 27' ' ' GLN . . . -128.98 68.61 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' ALA . 15.5 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.95 -56.7 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.6 mt -50.23 -60.64 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ILE . 37.7 mtmt -39.56 -60.64 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.08 -61.16 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -43.02 -58.28 2.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.439 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 30.8 mt-30 -52.13 -49.52 63.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -63.11 -21.96 66.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -76.96 -34.02 57.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.432 HG21 ' HG2' ' A' ' 74' ' ' PRO . 54.4 t -81.63 -33.42 12.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.02 -53.52 6.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -51.36 -39.31 43.52 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.666 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 30.7 t80 -63.44 -53.86 45.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.606 HD22 HG21 ' A' ' 39' ' ' ILE . 34.7 mt -60.52 -21.39 62.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -83.34 -43.95 15.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.14 -28.19 65.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -90.09 3.68 52.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt 47.68 51.28 14.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.606 HG21 HD22 ' A' ' 34' ' ' LEU . 38.8 mt -92.62 150.0 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.45 71.25 2.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 32.0 p90 -105.91 176.34 5.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 0.775 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.5 mm-40 -132.0 151.42 51.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -103.91 111.95 24.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 14' ' ' ILE . 14.6 mmmt -112.29 116.79 30.96 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.508 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 12.5 t70 -90.9 120.03 31.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.584 HG22 ' HD2' ' A' ' 13' ' ' TYR . 11.8 pt -89.06 -28.17 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.44 -66.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.508 ' HB3' ' OD2' ' A' ' 45' ' ' ASP . . . -93.08 57.07 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.355 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 50' ' ' GLU . 8.2 t-20 174.52 56.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 49' ' ' ASN . 2.0 mt-10 -37.91 -48.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.267 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 18.0 pt-20 -42.89 -52.47 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.448 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -53.04 -46.09 68.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.57 ' CD ' HD12 ' A' ' 46' ' ' ILE . 29.5 ttt180 -67.86 -41.26 83.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.76 -62.04 2.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.448 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 31.6 t90 -54.46 -61.59 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 108.015 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.568 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 3.2 ttp -45.28 -50.59 11.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 111.041 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.651 ' NE ' ' CD1' ' A' ' 70' ' ' TYR . 36.6 mtt180 -49.6 -46.85 49.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.38 -48.29 82.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.354 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 33.8 m-80 -58.3 -58.46 8.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.738 HG11 ' HG3' ' A' ' 71' ' ' PRO . 55.0 t -38.37 122.59 1.1 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 150.22 38.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.475 1.776 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -58.18 -41.4 83.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -60.02 -22.25 62.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.493 ' OG ' ' CE1' ' A' ' 82' ' ' TYR . 1.4 m -97.34 -25.73 15.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.266 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.651 ' CD1' ' NE ' ' A' ' 57' ' ' ARG . 82.4 m-85 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.511 0.196 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.738 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.99 115.91 4.43 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 72' ' ' LEU . 30.6 mt -77.32 150.3 79.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.513 ' HA ' ' C ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -74.95 167.33 27.31 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.455 1.766 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.0 155.62 99.97 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.989 0.029 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -128.27 110.51 12.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.544 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -78.79 135.5 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.558 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 1.3 m-85 -145.33 129.86 17.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 80' ' ' SER . 23.0 t-20 -94.02 98.66 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 58.82 -81.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.251 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -131.32 5.12 4.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.028 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.63 164.45 12.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.493 ' CE1' ' OG ' ' A' ' 64' ' ' SER . 39.7 t80 -109.36 145.03 36.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -115.61 -52.82 2.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.475 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 169.63 -166.34 39.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -117.72 -178.36 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.1 t80 -42.41 -34.93 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -61.06 -55.76 28.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.35 -36.15 81.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.441 ' HB2' HD11 ' A' ' 76' ' ' ILE . 21.9 t80 -58.84 -48.51 81.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -64.19 -51.82 61.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -53.75 -51.39 63.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.26 -23.27 63.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.445 ' CA ' HG23 ' A' ' 98' ' ' VAL . 23.5 ttp85 -79.14 -56.5 4.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.445 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 1.6 mm-40 -54.44 -35.39 62.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -87.51 12.52 12.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 40.14 63.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.72 23.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.163 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.666 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 1.2 t -56.05 -58.88 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.444 ' N ' HG12 ' A' ' 98' ' ' VAL . 18.8 m-85 -43.16 -45.41 5.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.31 -37.0 82.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 98' ' ' VAL . 14.6 t80 -72.85 -12.0 60.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.552 1.158 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.544 ' CD2' HG21 ' A' ' 76' ' ' ILE . 45.5 mt -110.89 1.67 17.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 66.22 19.8 68.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.643 HD21 HG12 ' A' ' 10' ' ' ILE . 22.8 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.525 0.78 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ptt? . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.482 0.182 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -86.15 138.08 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.577 HG12 HD21 ' A' ' 104' ' ' LEU . 9.6 mm -102.41 105.13 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -101.13 123.41 45.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -108.18 128.5 63.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.442 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 10.5 m-85 -99.51 100.02 10.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.0 pt -105.2 174.52 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -119.53 63.82 0.8 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' ALA . 31.4 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.95 -44.63 40.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.418 HG22 ' NE2' ' A' ' 27' ' ' GLN . 4.1 mt -63.79 -57.89 9.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -40.05 -51.52 2.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' ASP . 1.9 ttmt -59.09 -64.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.2 mttp -41.05 -58.37 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.418 ' NE2' HG22 ' A' ' 23' ' ' ILE . 30.0 mt-30 -52.62 -49.4 65.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -63.09 -25.64 68.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 25' ' ' LYS . 3.8 t70 -73.37 -32.59 64.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.413 HG21 ' HG2' ' A' ' 74' ' ' PRO . 94.5 t -80.47 -32.15 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.3 mt -78.54 -54.38 6.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.43 -40.76 39.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.438 1.087 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.498 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 50.3 t80 -63.89 -50.82 67.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.631 HD22 HG21 ' A' ' 39' ' ' ILE . 51.8 mt -65.22 -23.16 67.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.117 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -82.29 -44.91 15.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.1 -32.87 74.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -87.67 3.66 47.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt 47.58 53.47 11.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.631 HG21 HD22 ' A' ' 34' ' ' LEU . 36.4 mt -92.86 149.84 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.82 71.06 2.82 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.14 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 45.0 p90 -103.72 176.34 5.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.1 mm-40 -131.15 150.96 51.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -106.06 116.44 31.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' ILE . 11.9 mmmt -116.96 117.83 30.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -87.91 137.32 32.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 14' ' ' ILE . 13.4 pt -112.65 -9.07 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.78 -53.35 18.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.94 -72.54 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.31 121.71 12.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.7 -51.8 6.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 15.0 pt-20 -39.81 -47.49 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.474 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 9.0 m-20 -55.66 -56.6 18.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.449 ' HG3' HD12 ' A' ' 46' ' ' ILE . 28.7 ttt180 -57.6 -53.66 55.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -55.43 -64.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.457 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 60.3 t90 -44.96 -62.34 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 108.005 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.572 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 9.2 ttp -42.96 -54.25 4.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.561 ' CZ ' ' CD2' ' A' ' 70' ' ' TYR . 28.6 mtt180 -48.41 -47.0 38.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.46 -37.3 77.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 25.6 m-80 -69.89 -54.48 13.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.864 HG11 ' HG3' ' A' ' 71' ' ' PRO . 67.2 t -38.84 127.86 1.18 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.73 42.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.93 -42.92 99.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 110.339 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -60.82 -15.54 31.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 m -104.53 -26.17 12.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.561 ' CD2' ' CZ ' ' A' ' 57' ' ' ARG . 70.2 m-85 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.5 0.19 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.864 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.01 133.82 17.05 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.494 1.786 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.779 ' O ' HD12 ' A' ' 72' ' ' LEU . 1.1 pp -86.56 152.59 54.82 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.505 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.02 167.23 27.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.466 1.771 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.505 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.03 161.84 94.04 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.971 0.034 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -129.06 110.21 11.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.414 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -83.9 139.29 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.572 ' CE1' ' HG3' ' A' ' 56' ' ' MET . 12.0 m-85 -148.16 129.17 14.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 80' ' ' SER . 24.1 t-20 -86.49 96.55 10.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 66.83 -60.3 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.266 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -147.94 -37.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.22 166.47 11.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.551 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 17.9 t80 -103.6 137.84 41.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -108.6 -52.03 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.551 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 169.11 -170.81 42.73 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.7 p-10 -113.24 -174.3 2.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 0.799 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.522 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -49.17 -34.27 14.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.95 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.53 -57.67 10.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.0 -32.01 71.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -65.16 -45.04 86.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -67.26 -50.54 60.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -52.73 -55.16 24.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.65 -25.48 39.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.674 ' HA ' HG23 ' A' ' 98' ' ' VAL . 23.0 ttp85 -76.73 -41.7 44.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -66.37 -35.22 79.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -86.24 9.9 16.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 15.5 m120 45.18 59.65 3.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -152.08 26.72 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.674 HG23 ' HA ' ' A' ' 93' ' ' ARG . 1.4 t -54.36 -57.19 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -42.27 -42.57 3.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.45 -41.27 93.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 98' ' ' VAL . 24.6 t80 -69.81 -8.66 50.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.476 ' O ' HD11 ' A' ' 10' ' ' ILE . 22.4 mt -115.42 0.5 13.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 65.87 24.86 71.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.577 HD21 HG12 ' A' ' 10' ' ' ILE . 22.5 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 mtp . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.512 0.196 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 t -90.32 132.34 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.595 HG12 HD21 ' A' ' 104' ' ' LEU . 7.2 mm -97.6 104.43 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -100.77 125.65 47.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.1 t -110.2 138.22 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.356 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.512 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 24.6 m-85 -106.22 94.52 5.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 46' ' ' ILE . 1.9 pt -104.77 -177.75 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' A' ' 47' ' ' ALA . . . -132.74 74.06 1.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.506 ' C ' ' O ' ' A' ' 15' ' ' ALA . 2.7 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.08 -49.81 2.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mt -62.13 -57.52 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -41.35 -45.71 3.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.26 -66.01 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -39.86 -56.86 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.448 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 28.9 mt-30 -53.13 -48.5 67.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -64.04 -19.91 65.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -78.83 -33.26 46.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.0 t -81.87 -33.75 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -77.37 -55.34 5.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.47 -39.91 37.97 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.514 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 50.4 t80 -62.22 -51.57 67.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.773 HD23 HD12 ' A' ' 39' ' ' ILE . 54.6 mt -63.03 -24.91 68.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -79.84 -41.48 26.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.93 -31.01 65.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -88.93 9.46 24.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt 42.27 51.31 4.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.773 HD12 HD23 ' A' ' 34' ' ' LEU . 96.7 mt -93.54 149.49 4.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.88 83.02 1.54 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 40.9 p90 -117.04 175.99 5.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 0.799 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.6 mt-10 -132.5 141.76 48.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -95.03 117.8 30.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 14' ' ' ILE . 14.0 mmmt -118.82 117.63 29.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -87.79 136.56 32.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.715 HD12 ' NE ' ' A' ' 53' ' ' ARG . 6.2 pt -107.71 -24.6 3.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.525 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -55.84 -57.87 10.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.22 -74.28 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -55.49 123.25 13.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.8 -55.1 4.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 52' ' ' ASN . 12.4 pt-20 -39.84 -52.54 2.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.423 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 8.6 m-20 -48.25 -55.47 10.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.715 ' NE ' HD12 ' A' ' 46' ' ' ILE . 40.8 ttt180 -60.6 -64.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 1.0 OUTLIER -42.02 -64.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.425 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 31.7 t90 -49.58 -61.73 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 107.984 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.591 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 15.0 ttp -38.17 -61.66 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.661 ' CD ' ' CD1' ' A' ' 70' ' ' TYR . 29.7 mtm180 -43.36 -52.26 5.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -52.31 -38.81 59.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 60' ' ' VAL . 15.7 m120 -70.57 -55.32 9.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.873 HG11 ' HG3' ' A' ' 71' ' ' PRO . 73.7 t -38.11 125.22 1.05 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.02 151.99 40.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -67.61 -19.81 65.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -81.53 -12.33 58.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.7 m -108.06 -22.79 12.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.9 mtt85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 110.321 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.661 ' CD1' ' CD ' ' A' ' 57' ' ' ARG . 87.7 m-85 . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.455 0.169 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.873 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.01 115.2 4.21 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.519 1.8 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.746 ' O ' HD12 ' A' ' 72' ' ' LEU . 1.5 pp -75.22 152.19 85.99 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.522 ' HA ' ' C ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.02 165.74 30.66 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -75.0 168.45 77.4 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.987 -0.008 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -139.19 110.53 6.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.416 1.072 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.519 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.9 mp -76.78 128.79 37.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.591 ' CE1' ' HG3' ' A' ' 56' ' ' MET . 3.4 m-85 -138.17 129.81 28.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 80' ' ' SER . 11.0 t-20 -92.91 101.06 13.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 57.39 -83.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -126.73 -0.99 6.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -101.88 173.26 6.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 18.0 t80 -112.77 149.99 32.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.448 ' HB2' HG22 ' A' ' 76' ' ' ILE . 29.8 mmm180 -121.19 -53.95 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 167.07 -168.57 40.45 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -115.61 -177.17 3.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 0.749 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.421 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 0.9 OUTLIER -45.03 -34.12 2.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.974 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.43 -59.71 4.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.82 -26.28 65.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.443 ' HB2' HD11 ' A' ' 76' ' ' ILE . 18.8 t80 -72.29 -39.89 67.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -71.69 -41.87 68.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -63.07 -45.99 89.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.54 -24.32 67.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.476 ' HA ' HG23 ' A' ' 98' ' ' VAL . 0.7 OUTLIER -72.39 -55.92 6.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.435 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 1.9 mm-40 -55.41 -36.01 65.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -81.03 2.69 25.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 49.32 39.25 15.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -131.49 32.53 4.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.233 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.514 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -59.86 -52.41 61.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -47.96 -42.36 27.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.59 -37.83 85.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.175 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -71.8 -11.93 61.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.519 ' CD2' HG21 ' A' ' 76' ' ' ILE . 36.0 mt -110.68 1.64 18.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 67.1 21.03 71.51 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.595 HD21 HG12 ' A' ' 10' ' ' ILE . 23.4 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.4 ptt? . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.481 0.181 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -82.49 144.61 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' GLU . 12.1 mm -108.15 107.73 23.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.465 ' CZ ' ' HE2' ' A' ' 44' ' ' LYS . 26.1 mtp180 -100.45 128.56 46.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.405 HG12 HG23 ' A' ' 14' ' ' ILE . 47.9 t -115.95 126.9 73.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.581 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 4.3 m-85 -100.0 99.36 10.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' LYS . 2.4 pt -105.08 177.28 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -124.19 67.28 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 15' ' ' ALA . 14.3 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.4 m . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.569 0.223 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.78 -60.59 1.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.6 mt -53.02 -60.81 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.367 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ILE . 33.2 mtmt -39.92 -50.34 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.3 OUTLIER -59.61 -65.23 0.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HG2' ' CE2' ' A' ' 86' ' ' TYR . 35.4 mttm -39.54 -55.98 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.414 ' HB3' HG21 ' A' ' 14' ' ' ILE . 27.7 mt-30 -54.2 -50.98 65.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -63.56 -21.52 66.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 25' ' ' LYS . 8.1 t0 -79.45 -34.26 41.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.516 HG21 ' HG2' ' A' ' 74' ' ' PRO . 95.3 t -79.55 -28.81 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.3 mt -82.47 -54.34 5.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.08 -39.17 26.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.614 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 35.7 t80 -64.0 -58.28 7.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.645 HD22 HG21 ' A' ' 39' ' ' ILE . 35.0 mt -56.18 -19.86 15.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -85.01 -47.18 10.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.96 -26.44 66.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -91.39 -0.86 57.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm 52.75 42.72 31.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.262 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.645 HG21 HD22 ' A' ' 34' ' ' LEU . 16.9 mt -83.57 151.34 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.4 72.97 2.29 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.548 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 38.7 p90 -106.28 175.77 5.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.4 mt-10 -134.24 139.06 45.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -93.74 114.27 26.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.465 ' HE2' ' CZ ' ' A' ' 11' ' ' ARG . 7.4 mmmt -115.24 125.45 53.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -94.75 129.78 41.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.594 HD12 ' CD ' ' A' ' 53' ' ' ARG . 13.3 pt -99.14 -13.5 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.78 -70.52 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.82 -94.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -52.63 121.78 7.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -84.98 -38.45 19.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -40.83 -41.16 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 56' ' ' MET . 11.8 m-20 -67.0 -55.94 12.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.594 ' CD ' HD12 ' A' ' 46' ' ' ILE . 26.5 ttt180 -56.54 -52.14 65.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 1.5 tttp -52.99 -71.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.764 ' CZ2' ' ND2' ' A' ' 59' ' ' ASN . 87.3 t90 -43.45 -55.04 4.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 108.023 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.593 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 11.1 ttp -47.36 -49.22 24.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.697 ' CD ' ' CD1' ' A' ' 70' ' ' TYR . 45.7 mtm180 -57.1 -39.95 76.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.77 -14.51 60.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.764 ' ND2' ' CZ2' ' A' ' 55' ' ' TRP . 3.4 m120 -89.41 -56.16 3.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.721 HG11 ' HG3' ' A' ' 71' ' ' PRO . 54.6 t -41.54 127.55 2.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 151.27 39.41 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.429 1.752 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.41 -26.55 68.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -76.76 -7.89 56.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 m -113.07 -23.71 9.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.999 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 110.313 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.697 ' CD1' ' CD ' ' A' ' 57' ' ' ARG . 90.0 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.495 0.188 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.721 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -75.01 122.06 6.97 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.514 1.797 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.7 mt -79.98 150.48 71.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.525 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.02 168.22 25.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.525 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.96 167.92 78.97 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.023 -0.052 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.51 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 67.3 mm-40 -137.73 110.44 7.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.484 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.8 mp -83.42 137.33 21.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.593 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 57.7 m-85 -143.5 128.66 18.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 80' ' ' SER . 29.0 t-20 -85.95 96.85 9.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 78' ' ' ASN . 39.1 mt-10 66.48 -59.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 78' ' ' ASN . 1.5 t -147.41 -41.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.85 169.17 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.522 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 1.7 t80 -107.2 139.38 41.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -109.39 -56.97 2.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.421 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 173.74 -177.14 46.18 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.9 p-10 -111.19 -178.57 3.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 0.745 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.43 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -40.82 -37.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 111.001 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -60.94 -54.81 40.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.81 -33.31 74.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -64.8 -39.37 93.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 111.039 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -72.16 -48.37 43.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -56.75 -48.46 77.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.51 -21.2 66.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.476 ' HA ' HG23 ' A' ' 98' ' ' VAL . 17.6 ttp180 -77.82 -56.26 4.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.423 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 1.9 mm-40 -53.68 -35.17 60.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -86.19 10.81 13.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 40.58 54.72 2.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -142.0 17.35 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.614 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -46.61 -54.03 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -46.08 -44.92 15.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.37 -37.39 86.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -73.11 -9.83 59.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.484 ' CD2' HG21 ' A' ' 76' ' ' ILE . 28.6 mt -113.0 -0.7 14.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.64 20.44 75.69 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.437 HD11 HG13 ' A' ' 10' ' ' ILE . 22.7 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.456 0.739 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.458 ' CE ' ' HA ' ' A' ' 104' ' ' LEU . 2.0 mtp . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.487 0.184 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.492 HG13 ' OE2' ' A' ' 42' ' ' GLU . 1.6 t -92.87 130.7 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.446 ' HA ' HD13 ' A' ' 10' ' ' ILE . 9.5 mm -98.15 105.72 17.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -101.1 124.33 46.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.345 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.9 t -109.49 137.26 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 14.7 m-85 -104.97 95.04 5.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 46' ' ' ILE . 1.9 pt -104.91 -178.93 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -130.04 73.44 1.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 15' ' ' ALA . 4.1 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 22' ' ' ALA . 2.0 m . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 21' ' ' THR . . . -39.65 -57.35 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.6 mt -53.98 -61.79 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 23' ' ' ILE . 36.1 mtmt -40.28 -53.24 2.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -55.61 -64.8 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 29' ' ' ASP . 39.8 mttm -40.82 -58.59 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.431 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 28.3 mt-30 -50.02 -39.5 41.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 25' ' ' LYS . 35.6 mt-30 -71.57 -21.73 61.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 26' ' ' LYS . 2.8 t0 -79.32 -32.31 43.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -81.35 -34.39 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.4 mt -77.47 -55.22 5.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.55 -40.55 32.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.521 ' CE2' HG11 ' A' ' 98' ' ' VAL . 62.7 t80 -63.18 -57.21 11.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.587 HD22 HG21 ' A' ' 39' ' ' ILE . 33.3 mt -57.47 -24.41 55.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -80.45 -44.66 18.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.49 -29.72 69.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -88.78 2.76 52.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 49.14 50.79 17.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.587 HG21 HD22 ' A' ' 34' ' ' LEU . 37.2 mt -92.2 145.86 7.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.76 75.6 2.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.516 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 52.5 p90 -106.97 175.81 5.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 111.024 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.492 ' OE2' HG13 ' A' ' 9' ' ' VAL . 1.3 mt-10 -130.3 138.74 50.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -92.24 114.99 27.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 14' ' ' ILE . 13.8 mmmt -115.01 115.18 26.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -89.53 127.74 35.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.631 HD11 ' HG3' ' A' ' 73' ' ' PRO . 9.2 pt -93.29 -32.83 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.34 -61.4 2.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.8 50.47 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 172.28 92.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -66.89 -51.99 48.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.444 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 15.5 pt-20 -38.16 -51.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.444 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 7.6 m-20 -57.78 -55.75 30.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -56.62 -56.29 23.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 0.8 OUTLIER -48.34 -67.66 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.459 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 87.3 t90 -47.05 -57.37 5.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 107.987 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.574 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 11.7 ttp -44.96 -46.49 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.485 ' NE ' ' CG ' ' A' ' 70' ' ' TYR . 15.3 mtt180 -60.01 -41.44 92.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.29 -16.41 62.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.459 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 2.4 m-80 -91.68 -48.23 6.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.806 HG11 ' HG3' ' A' ' 71' ' ' PRO . 19.7 t -42.84 132.56 3.03 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.487 ' HD3' ' CG ' ' A' ' 82' ' ' TYR . 18.1 Cg_endo -75.04 150.84 38.55 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.789 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -63.47 -27.67 69.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -76.3 -5.92 49.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.2 m -115.42 -12.06 11.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.012 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.485 ' CG ' ' NE ' ' A' ' 57' ' ' ARG . 83.9 m-85 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.507 0.194 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.806 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.0 119.66 5.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.788 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 47.4 mt -73.83 151.29 88.76 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.631 ' HG3' HD11 ' A' ' 46' ' ' ILE . 18.3 Cg_endo -75.0 167.46 26.99 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -75.03 173.41 58.05 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.002 0.025 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.426 ' HG2' ' HA ' ' A' ' 73' ' ' PRO . 53.0 mm-40 -143.78 110.43 5.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.251 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.515 HD11 ' HB2' ' A' ' 89' ' ' PHE . 2.8 mp -76.47 138.79 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.574 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 7.3 m-85 -149.03 129.48 13.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 81' ' ' GLN . 23.9 t-20 -90.12 99.2 12.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 59.77 -83.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -124.29 -10.01 7.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.996 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -96.09 161.3 14.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.28 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.508 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 2.2 t80 -102.45 150.87 22.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.48 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 30.7 mmm180 -119.51 -61.94 1.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.508 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 178.38 -171.73 44.09 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -111.09 -176.64 3.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 0.0 109.322 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.465 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 0.7 OUTLIER -47.09 -36.8 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -61.37 -52.92 62.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.5 -32.96 74.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.515 ' HB2' HD11 ' A' ' 76' ' ' ILE . 18.5 t80 -63.85 -38.99 93.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -72.7 -48.88 35.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -56.41 -54.82 41.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.91 -21.97 23.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.621 ' HA ' HG23 ' A' ' 98' ' ' VAL . 21.3 ttp180 -80.32 -45.87 17.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -58.25 -38.29 76.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.262 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -86.23 9.8 16.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 45.69 55.66 6.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -141.52 19.27 2.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.621 HG23 ' HA ' ' A' ' 93' ' ' ARG . 1.4 t -49.08 -53.76 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -51.6 -41.44 61.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.52 -27.64 65.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -83.41 -9.1 59.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.414 ' O ' HD11 ' A' ' 10' ' ' ILE . 43.2 mt -105.63 -3.55 22.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.05 14.84 76.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.458 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 5.1 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 103' ' ' GLY . 48.8 mtm . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.485 0.183 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.499 HG11 ' HE ' ' A' ' 11' ' ' ARG . 1.3 t -81.5 140.01 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.496 HG12 HD21 ' A' ' 104' ' ' LEU . 7.8 mm -103.64 104.91 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.499 ' HE ' HG11 ' A' ' 9' ' ' VAL . 24.6 mtt180 -101.46 135.1 43.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.67 136.96 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 19.9 m-85 -103.52 96.96 7.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 44' ' ' LYS . 1.9 pt -105.11 -179.62 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -128.32 70.56 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 15' ' ' ALA . 6.8 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.976 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.18 -54.61 15.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.0 mt -51.88 -59.87 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -44.2 -40.1 4.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -69.66 -65.61 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -41.03 -57.09 2.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -51.51 -44.64 62.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 110.343 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -67.25 -26.09 66.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -73.64 -29.14 62.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.512 HG21 ' HG2' ' A' ' 74' ' ' PRO . 57.6 t -83.71 -31.03 7.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.1 mt -80.56 -54.04 6.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.85 -44.82 31.59 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.51 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 49.0 t80 -59.9 -55.93 27.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 0.799 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.666 HD22 HG21 ' A' ' 39' ' ' ILE . 67.2 mt -58.11 -22.38 50.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -83.35 -45.44 13.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.5 -27.53 67.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -94.18 5.73 50.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 45.88 52.63 9.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.352 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.666 HG21 HD22 ' A' ' 34' ' ' LEU . 36.5 mt -92.47 148.5 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.43 75.3 2.34 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 49.3 p90 -108.0 176.23 5.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 0.723 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 10' ' ' ILE . 2.8 mm-40 -132.15 150.56 52.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -104.86 110.58 23.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 14' ' ' ILE . 12.7 mmmt -110.94 117.55 33.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.496 ' OD1' ' HB3' ' A' ' 47' ' ' ALA . 0.5 OUTLIER -92.8 121.94 34.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.526 HD12 ' HG3' ' A' ' 53' ' ' ARG . 15.2 pt -87.13 -28.89 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.496 ' HB3' ' OD1' ' A' ' 45' ' ' ASP . . . -51.8 -73.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.47 ' N ' ' OD2' ' A' ' 45' ' ' ASP . . . -84.26 50.15 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -179.91 91.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.29 -53.72 27.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 11.2 pt-20 -38.03 -52.31 1.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.449 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 9.1 m-20 -55.68 -54.38 44.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.526 ' HG3' HD12 ' A' ' 46' ' ' ILE . 37.9 ttt180 -58.33 -54.69 44.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.306 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.452 ' HA ' ' CZ ' ' A' ' 57' ' ' ARG . 4.4 tttt -53.01 -66.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.427 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 90.0 t90 -46.52 -60.01 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 108.028 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.581 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 11.5 ttp -44.43 -49.24 9.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.588 ' NE ' ' CE1' ' A' ' 70' ' ' TYR . 11.3 mtp180 -56.39 -42.6 78.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.15 -22.15 65.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.256 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 3.3 m-80 -85.0 -52.51 5.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.844 HG11 ' HG3' ' A' ' 71' ' ' PRO . 48.7 t -40.1 131.07 1.59 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 150.17 38.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.434 1.755 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -55.31 -47.73 75.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -56.2 -18.61 10.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -101.33 -27.11 13.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.618 ' HG3' HG12 ' A' ' 60' ' ' VAL . 4.2 mtt-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.244 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.588 ' CE1' ' NE ' ' A' ' 57' ' ' ARG . 68.0 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.512 0.196 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.844 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.05 130.88 13.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.515 1.797 . . . . 0.0 111.03 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.762 ' O ' HD12 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -84.89 153.47 60.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.513 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -74.95 167.59 26.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.513 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.04 166.03 84.34 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.988 -0.008 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -137.02 110.67 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.545 HG21 ' CD2' ' A' ' 102' ' ' LEU . 3.0 mt -84.36 142.22 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.581 ' CE1' ' HG3' ' A' ' 56' ' ' MET . 12.8 m-85 -147.42 129.05 15.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.513 ' O ' ' N ' ' A' ' 80' ' ' SER . 19.9 t-20 -84.68 96.5 9.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 66.78 -59.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.3 OUTLIER -147.92 -39.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -68.13 167.33 14.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.504 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 15.6 t80 -102.16 150.3 23.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -120.32 -53.63 2.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.339 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.504 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 174.45 174.6 41.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.563 1.165 . . . . 0.0 110.99 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 88' ' ' ALA . 25.7 p-10 -103.73 177.34 4.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 109.318 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -39.7 -34.84 0.27 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.48 -53.3 54.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 85' ' ' ASP . . . -65.7 -30.23 70.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -65.59 -48.73 71.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -64.89 -49.43 70.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -54.51 -54.09 45.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.26 -20.27 40.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.46 ' CA ' HG23 ' A' ' 98' ' ' VAL . 18.9 ttp180 -83.1 -41.18 18.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.44 -40.12 96.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -84.42 7.8 18.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.2 m120 47.65 58.93 4.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -145.47 20.19 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.51 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -50.36 -57.59 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.474 ' N ' HG12 ' A' ' 98' ' ' VAL . 7.9 m-85 -44.78 -41.4 6.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.81 -35.42 76.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 98' ' ' VAL . 22.2 t80 -75.61 -9.88 58.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.545 ' CD2' HG21 ' A' ' 76' ' ' ILE . 29.3 mt -112.84 2.37 15.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.4 ' O ' ' SD ' ' A' ' 8' ' ' MET . . . 67.78 16.9 68.66 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.496 HD21 HG12 ' A' ' 10' ' ' ILE . 21.0 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 109.348 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.469 0.176 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.412 ' CG1' ' OE2' ' A' ' 42' ' ' GLU . 1.3 t -88.06 133.85 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.353 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.552 HG12 HD21 ' A' ' 104' ' ' LEU . 9.3 mm -98.43 106.28 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -100.81 125.44 47.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.4 t -112.43 126.85 69.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.585 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 10.2 m-85 -98.41 100.65 11.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.451 HG21 ' HB3' ' A' ' 27' ' ' GLN . 2.8 pt -105.05 170.85 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -116.62 63.39 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 15' ' ' ALA . 32.7 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.042 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.05 -56.99 2.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.9 mt -52.65 -59.89 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 23' ' ' ILE . 28.8 mtmt -38.58 -51.82 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -64.53 -62.26 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.579 ' O ' HG23 ' A' ' 30' ' ' VAL . 46.2 mttt -39.11 -46.37 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.451 ' HB3' HG21 ' A' ' 14' ' ' ILE . 29.7 mt-30 -67.31 -42.15 84.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -65.84 -43.33 88.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 28' ' ' GLN . 15.6 t0 -60.64 -26.28 66.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 26' ' ' LYS . 54.5 t -84.45 -39.47 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.6 mt -74.03 -55.75 5.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.64 -40.25 32.28 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.508 1.13 . . . . 0.0 110.956 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.68 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 66.0 t80 -63.0 -55.25 27.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.791 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.656 HD22 HG21 ' A' ' 39' ' ' ILE . 51.3 mt -60.27 -25.38 65.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -80.6 -45.52 17.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.26 -33.04 75.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -88.73 8.55 28.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 43.71 48.13 6.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.656 HG21 HD22 ' A' ' 34' ' ' LEU . 23.2 mt -87.13 151.87 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -89.51 75.15 1.87 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.477 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 38.7 p90 -106.52 175.39 5.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.412 ' OE2' ' CG1' ' A' ' 9' ' ' VAL . 1.9 mt-10 -131.52 141.36 49.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -96.09 117.83 31.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 14' ' ' ILE . 14.8 mmmt -118.57 115.27 24.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -90.48 123.6 34.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.653 HD12 ' HG3' ' A' ' 53' ' ' ARG . 20.1 pt -91.91 -13.88 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.47 -61.87 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.15 51.95 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 170.27 101.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.67 -49.54 30.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 9.2 pt-20 -39.32 -47.6 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.464 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 11.4 m-20 -60.98 -59.6 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.653 ' HG3' HD12 ' A' ' 46' ' ' ILE . 15.8 ttt180 -52.73 -50.52 63.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 10.2 tttt -56.29 -70.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.756 ' CZ2' ' ND2' ' A' ' 59' ' ' ASN . 64.6 t90 -42.81 -55.6 3.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 108.053 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.588 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 12.3 ttp -45.02 -49.67 11.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.501 ' NE ' ' CD1' ' A' ' 70' ' ' TYR . 7.7 mtp180 -59.62 -42.82 93.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.99 -21.14 66.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.756 ' ND2' ' CZ2' ' A' ' 55' ' ' TRP . 3.6 m120 -86.82 -48.43 8.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.786 HG11 ' HG3' ' A' ' 71' ' ' PRO . 48.1 t -46.65 133.57 8.12 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.94 151.82 40.31 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -63.08 -34.42 77.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -69.78 -8.17 45.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 m -112.12 -24.03 10.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.407 1.067 . . . . 0.0 110.287 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.501 ' CD1' ' NE ' ' A' ' 57' ' ' ARG . 36.6 m-85 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.507 0.194 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.786 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.1 Cg_endo -74.96 129.09 12.05 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.6 mt -83.26 148.71 56.68 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.505 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.01 167.59 26.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.505 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -75.0 165.83 84.9 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.013 -2.495 . . . . 0.0 111.009 0.02 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.532 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 45.6 mm-40 -136.91 110.72 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.792 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.8 mp -81.85 131.56 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.588 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 49.1 m-85 -138.35 128.52 25.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 80' ' ' SER . 16.8 t-20 -85.4 97.49 10.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 66.38 -61.22 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.335 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -146.21 -40.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.27 168.96 6.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.575 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 15.7 t80 -102.42 143.58 31.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -115.15 -49.25 2.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.575 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 168.37 -177.31 42.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -112.15 -171.71 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.56 ' CD1' ' HD3' ' A' ' 26' ' ' LYS . 2.2 t80 -51.62 -38.36 54.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.49 -48.97 79.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.99 -38.0 82.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -58.34 -51.79 68.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -59.37 -47.44 85.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -59.34 -48.57 81.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.03 -20.63 62.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.42 ' N ' HG23 ' A' ' 98' ' ' VAL . 11.9 ttp85 -79.64 -54.58 5.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.456 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 1.5 mm-40 -52.93 -36.9 60.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -85.87 9.81 15.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 42.41 51.05 4.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.75 19.98 2.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.68 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -49.58 -56.17 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.469 ' N ' HG12 ' A' ' 98' ' ' VAL . 5.5 m-85 -46.22 -43.81 15.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.949 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.7 86.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -72.53 -10.82 60.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.792 ' CD2' HG21 ' A' ' 76' ' ' ILE . 30.2 mt -112.7 2.85 16.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 66.32 21.32 70.22 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.552 HD21 HG12 ' A' ' 10' ' ' ILE . 21.7 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 ptt? . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.532 0.206 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.1 t -86.2 141.68 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.663 HG12 HD21 ' A' ' 104' ' ' LEU . 9.3 mm -106.61 106.14 20.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -101.12 123.22 44.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.5 t -109.04 129.67 63.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -100.76 99.16 9.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 46' ' ' ILE . 2.7 pt -104.97 169.48 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -112.98 63.66 0.64 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.138 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' ALA . 35.5 t . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 110.026 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.386 -0.228 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.66 -54.39 6.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.3 mt -53.07 -60.81 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -39.8 -51.49 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -63.71 -61.04 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -41.39 -58.97 1.7 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.41 ' HB3' HG21 ' A' ' 14' ' ' ILE . 30.1 mt-30 -51.83 -50.95 59.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -64.2 -19.04 65.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 25' ' ' LYS . 2.6 t70 -79.55 -34.88 40.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.482 HG22 ' CD2' ' A' ' 89' ' ' PHE . 79.7 t -80.42 -34.08 14.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 78.8 mt -76.16 -52.76 9.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -51.88 -38.46 46.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.605 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 48.2 t80 -63.98 -51.04 66.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 0.745 . . . . 0.0 111.058 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.644 HD23 HD12 ' A' ' 39' ' ' ILE . 39.2 mt -64.28 -19.9 65.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -86.01 -42.0 14.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.0 -31.47 66.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -86.72 0.22 55.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt 52.1 49.62 20.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.644 HD12 HD23 ' A' ' 34' ' ' LEU . 78.6 mt -91.85 155.66 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.96 75.81 1.39 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.564 1.165 . . . . 0.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 34.6 p90 -108.96 176.27 5.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.1 mm-40 -131.74 151.42 51.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -105.2 112.8 26.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.253 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 14' ' ' ILE . 12.4 mmmt -114.7 118.35 33.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -88.77 138.35 31.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 14' ' ' ILE . 20.2 pt -110.55 -15.81 9.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.08 -47.29 68.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.71 -85.77 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.59 124.2 16.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.23 -51.14 8.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 9.2 pt-20 -40.29 -47.99 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.488 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 7.5 m-20 -52.36 -54.23 34.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.443 ' NE ' HD12 ' A' ' 46' ' ' ILE . 37.0 ttt180 -60.96 -62.68 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -46.09 -64.97 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 68.0 t90 -44.38 -61.87 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 108.035 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.586 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 15.6 ttp -41.41 -61.66 1.01 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.687 ' CD ' ' CD1' ' A' ' 70' ' ' TYR . 28.3 mtm180 -40.39 -53.08 2.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -52.57 -44.07 65.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 60' ' ' VAL . 15.3 m120 -63.06 -57.05 11.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.885 HG11 ' HG3' ' A' ' 71' ' ' PRO . 73.4 t -37.41 127.47 0.86 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.484 ' HB2' ' ND2' ' A' ' 63' ' ' ASN . 18.3 Cg_endo -75.06 148.32 34.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.475 1.776 . . . . 0.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.441 ' HA ' ' CD ' ' A' ' 65' ' ' ARG . 12.6 pt-20 -63.86 -25.05 67.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.484 ' ND2' ' HB2' ' A' ' 61' ' ' PRO . 8.6 p30 -79.65 -4.83 53.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.2 m -120.4 -4.55 9.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.46 ' HG3' HG12 ' A' ' 60' ' ' VAL . 5.6 mtt180 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.687 ' CD1' ' CD ' ' A' ' 57' ' ' ARG . 79.8 m-85 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.504 0.192 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.885 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.97 128.41 11.48 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.546 1.813 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 72' ' ' LEU . 15.6 mt -87.21 154.14 54.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.531 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.5 Cg_endo -74.95 168.65 24.36 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.531 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -74.99 159.93 97.29 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 121.02 -2.492 . . . . 0.0 110.964 -0.009 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.403 ' NE2' ' O ' ' A' ' 72' ' ' LEU . 54.7 mm-40 -129.96 112.31 13.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.238 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.61 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.8 mp -88.35 138.14 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.586 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 13.8 m-85 -143.66 128.64 18.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.962 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 80' ' ' SER . 22.4 t-20 -84.02 95.77 8.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 65.79 -59.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.1 OUTLIER -148.46 -38.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.45 163.78 15.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -102.44 136.63 41.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -107.35 -56.48 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.31 -170.21 43.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.135 . . . . 0.0 110.979 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -117.88 -176.92 3.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 0.6 OUTLIER -43.96 -35.63 2.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -61.53 -55.81 26.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.5 -34.81 77.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.482 ' CD2' HG22 ' A' ' 30' ' ' VAL . 33.6 t80 -62.87 -45.24 93.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -65.71 -49.02 70.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -56.21 -52.93 62.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.416 ' HB1' ' HA ' ' A' ' 98' ' ' VAL . . . -55.24 -26.61 40.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.083 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.46 ' N ' HG23 ' A' ' 98' ' ' VAL . 0.9 OUTLIER -75.66 -52.31 10.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.281 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.66 -40.49 60.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -87.35 12.51 11.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.1 m120 41.42 63.46 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.52 22.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.605 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -53.45 -52.48 32.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.426 ' N ' HG12 ' A' ' 98' ' ' VAL . 8.7 m-85 -46.23 -47.23 18.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.31 98.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -67.87 -10.89 56.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.61 ' CD2' HG21 ' A' ' 76' ' ' ILE . 32.3 mt -111.91 -0.9 15.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 71.74 17.15 76.48 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.663 HD21 HG12 ' A' ' 10' ' ' ILE . 21.3 mt . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.498 ' CE ' ' O ' ' A' ' 103' ' ' GLY . 96.4 mtp . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.515 0.198 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -71.85 140.91 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.243 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 42' ' ' GLU . 12.6 mm -108.28 106.65 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.3 mtt-85 -100.95 131.52 46.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.848 HG13 ' O ' ' A' ' 75' ' ' GLN . 13.7 t -119.75 130.77 73.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.419 ' CD2' ' HB2' ' A' ' 56' ' ' MET . 20.5 m-85 -100.29 100.71 11.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.424 ' N ' ' O ' ' A' ' 44' ' ' LYS . 3.1 pt -105.32 161.9 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.508 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -109.06 62.4 0.6 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' ALA . 42.5 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.015 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.8 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.71 -64.08 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' LYS . 4.1 mt -51.63 -61.13 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ILE . 41.1 mtmt -40.06 -50.75 2.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -60.59 -64.77 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -42.54 -57.17 2.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -52.74 -41.13 63.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -74.76 -18.44 60.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 25' ' ' LYS . 5.7 t70 -83.58 -35.38 24.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.486 HG21 ' HG2' ' A' ' 74' ' ' PRO . 89.4 t -79.21 -31.13 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.6 mt -81.53 -51.69 8.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.71 -33.45 59.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.433 ' CE1' ' ND2' ' A' ' 37' ' ' ASN . 46.0 t80 -65.82 -56.06 13.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 0.801 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.56 HD22 HG21 ' A' ' 39' ' ' ILE . 16.3 mt -58.6 -24.13 60.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -80.34 -41.36 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.6 -26.87 62.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.433 ' ND2' ' CE1' ' A' ' 33' ' ' PHE . 35.1 m-80 -93.58 1.03 56.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 51.63 51.3 16.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.56 HG21 HD22 ' A' ' 34' ' ' LEU . 46.5 mt -95.02 148.51 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.65 77.87 2.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 48.1 p90 -108.12 176.22 5.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.9 OUTLIER -130.98 149.64 52.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 0.0 110.279 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -106.45 114.1 28.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 14' ' ' ILE . 11.1 mmmt -114.48 119.26 36.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.56 131.32 34.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.508 HD11 ' HB2' ' A' ' 15' ' ' ALA . 25.6 pt -102.93 -23.15 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.63 -73.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.87 -79.34 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -54.42 123.96 14.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 51' ' ' GLU . 1.1 tp10 -86.36 -53.21 5.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 11.2 pt-20 -38.46 -52.7 1.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.431 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 9.6 m-20 -52.57 -53.09 51.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.466 ' NE ' HD12 ' A' ' 46' ' ' ILE . 47.0 ttt180 -60.77 -58.03 10.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 0.7 OUTLIER -50.11 -67.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.754 ' CH2' ' ND2' ' A' ' 59' ' ' ASN . 82.5 t90 -43.32 -54.73 4.46 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.584 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 6.7 ttp -52.2 -49.19 64.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.565 ' HD2' ' CD1' ' A' ' 70' ' ' TYR . 77.5 mtm180 -58.22 -28.88 65.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -88.88 -15.44 34.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.287 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.754 ' ND2' ' CH2' ' A' ' 55' ' ' TRP . 4.0 m-20 -82.78 -54.99 4.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.541 HG21 ' CG ' ' A' ' 71' ' ' PRO . 92.4 t -39.86 135.68 1.28 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.519 ' HD3' ' CG ' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -74.99 149.18 36.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -64.39 -16.2 61.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.71 -12.58 53.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.516 ' HG ' ' HE1' ' A' ' 82' ' ' TYR . 2.0 m -110.67 -23.68 10.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.274 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.565 ' CD1' ' HD2' ' A' ' 57' ' ' ARG . 31.4 m-85 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.506 0.193 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.541 ' CG ' HG21 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.96 118.29 5.22 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 111.036 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.797 ' O ' HD12 ' A' ' 72' ' ' LEU . 1.5 pp -81.81 149.37 63.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.541 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -74.98 169.64 22.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.541 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.04 171.82 66.17 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.012 0.071 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.848 ' O ' HG13 ' A' ' 12' ' ' VAL . 2.7 mm100 -132.34 137.45 47.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.619 HG22 ' HB2' ' A' ' 83' ' ' ARG . 3.9 mp -104.55 103.95 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.584 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 37.6 m-85 -117.6 129.0 55.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.506 ' O ' ' N ' ' A' ' 80' ' ' SER . 25.6 t-20 -89.65 96.68 10.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 78' ' ' ASN . 70.5 mt-10 67.16 -56.99 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -149.78 -39.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.962 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.54 163.47 13.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.526 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 31.1 t80 -101.76 141.72 34.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.619 ' HB2' HG22 ' A' ' 76' ' ' ILE . 26.8 mmm180 -114.47 -44.46 3.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.526 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 159.47 -179.98 34.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.133 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.5 p-10 -101.36 -171.11 1.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.425 ' CB ' ' HD2' ' A' ' 74' ' ' PRO . 0.2 OUTLIER -51.75 -42.53 62.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.417 ' N ' ' CD1' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -55.3 -43.62 75.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.49 -40.59 73.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.472 ' CD2' HG22 ' A' ' 30' ' ' VAL . 15.5 t80 -57.88 -51.65 68.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -60.52 -52.71 64.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -51.32 -56.02 15.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.72 -29.13 37.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.523 ' CA ' HG23 ' A' ' 98' ' ' VAL . 42.6 ttp180 -74.28 -48.52 27.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -52.74 -40.69 63.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -86.99 11.11 14.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 45.54 58.06 4.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -141.54 15.86 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.523 HG23 ' CA ' ' A' ' 93' ' ' ARG . 0.9 OUTLIER -45.45 -59.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.508 ' N ' HG12 ' A' ' 98' ' ' VAL . 8.0 m-85 -43.95 -44.8 7.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.32 95.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CE2' HG21 ' A' ' 76' ' ' ILE . 30.0 t80 -67.28 -11.97 58.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.585 ' CD2' HG21 ' A' ' 76' ' ' ILE . 33.0 mt -109.89 -3.21 16.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.498 ' O ' ' CE ' ' A' ' 8' ' ' MET . . . 73.8 13.57 80.51 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.448 1.092 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.8 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 p -172.93 140.77 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 0.79 . . . . 0.0 110.021 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -172.67 169.62 4.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.19 61.33 0.65 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.0 p -141.06 148.62 40.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 0.733 . . . . 0.0 110.048 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 m -62.77 139.73 58.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.031 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.78 -130.54 2.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.528 1.143 . . . . 0.0 110.955 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 38.86 85.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.494 ' CG1' ' OE2' ' A' ' 42' ' ' GLU . 1.4 t -90.44 137.37 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.566 HG12 HD21 ' A' ' 104' ' ' LEU . 7.1 mm -102.25 105.39 17.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -101.6 129.24 47.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -117.03 137.65 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.528 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 22.5 m-85 -105.25 96.99 6.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' ILE . 2.1 pt -104.88 176.88 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -124.17 69.62 1.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' ALA . 13.1 t -35.92 -53.32 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.453 ' HB3' ' HB1' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -77.61 55.39 1.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 p -100.65 179.75 4.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.968 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.81 -51.8 0.12 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.99 109.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 0.806 . . . . 0.0 110.008 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.8 m -47.39 -51.33 20.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.367 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.63 -56.29 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mt -51.3 -63.62 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -40.91 -51.35 3.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' ASP . 1.3 mptt -59.47 -63.42 1.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -40.26 -57.38 1.74 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -52.96 -47.85 67.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -66.18 -19.51 65.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 25' ' ' LYS . 7.8 t0 -78.7 -33.93 46.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.6 t -81.27 -35.58 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.23 -56.19 5.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.98 -42.48 22.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.738 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 51.0 t80 -60.27 -53.28 59.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 0.763 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.589 HD22 HG21 ' A' ' 39' ' ' ILE . 78.3 mt -61.71 -25.72 67.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -80.37 -42.82 22.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.94 -31.2 67.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -86.96 1.85 51.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 mmtm 50.95 46.78 25.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.589 HG21 HD22 ' A' ' 34' ' ' LEU . 66.7 mt -90.2 150.9 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -89.18 83.1 1.44 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 37.0 p90 -114.69 175.68 5.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.494 ' OE2' ' CG1' ' A' ' 9' ' ' VAL . 1.6 mt-10 -131.28 139.14 49.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -93.32 112.41 24.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 14' ' ' ILE . 12.7 mmmt -113.1 120.03 39.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 47' ' ' ALA . 55.0 t0 -91.04 137.29 32.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.458 HD12 ' HG3' ' A' ' 53' ' ' ARG . 18.1 pt -106.27 -26.64 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.453 ' HB1' ' HB3' ' A' ' 17' ' ' SER . . . -52.33 -62.52 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.21 -74.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.66 119.4 6.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.21 -53.81 5.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 10.2 pt-20 -39.87 -47.31 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.474 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 10.8 m-20 -55.47 -53.49 55.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.458 ' HG3' HD12 ' A' ' 46' ' ' ILE . 40.7 ttt180 -61.25 -53.96 50.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -55.86 -65.88 0.52 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.75 ' CH2' ' ND2' ' A' ' 59' ' ' ASN . 89.0 t90 -44.17 -58.77 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 107.98 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.546 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 4.7 ttp -48.09 -46.47 33.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.603 ' NH2' ' CD2' ' A' ' 70' ' ' TYR . 14.3 mtt180 -59.07 -39.96 83.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.71 -15.29 61.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.75 ' ND2' ' CH2' ' A' ' 55' ' ' TRP . 3.1 m120 -91.5 -49.87 6.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.778 HG11 ' HG3' ' A' ' 71' ' ' PRO . 25.0 t -41.07 133.43 1.86 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.31 39.47 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 111.035 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -62.47 -42.53 99.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.2 -15.14 31.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.8 m -105.9 -25.22 12.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.965 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.552 ' HG3' HG12 ' A' ' 60' ' ' VAL . 39.7 mtp85 -61.98 145.14 93.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -166.79 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.493 1.786 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.413 ' O ' ' HB ' ' A' ' 68' ' ' THR . . . -65.2 -48.17 74.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 67' ' ' ALA . 2.3 t -177.84 135.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.14 32.7 1.62 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.603 ' CD2' ' NH2' ' A' ' 57' ' ' ARG . 87.4 m-85 56.3 162.14 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.535 0.785 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.778 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.01 128.13 11.23 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.2 mt -81.93 152.0 68.1 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.354 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.525 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -74.95 168.26 25.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.525 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.1 Cg_endo -75.07 167.25 81.01 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.953 0.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.4 ' HG2' ' HA ' ' A' ' 73' ' ' PRO . 62.6 mm-40 -138.37 111.34 7.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.668 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -85.52 138.11 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.546 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 12.6 m-85 -144.93 128.7 17.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 80' ' ' SER . 22.7 t-20 -83.86 96.45 8.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 65.73 -59.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 78' ' ' ASN . 3.7 t -145.81 -39.81 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.13 161.3 22.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.522 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 6.0 t80 -98.07 145.97 26.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 111.058 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -115.52 -55.76 2.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.522 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 170.75 179.0 41.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.145 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 88' ' ' ALA . 25.6 p-10 -108.63 176.94 4.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.421 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.0 OUTLIER -37.88 -36.08 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 110.945 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -63.23 -55.0 28.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 85' ' ' ASP . . . -64.33 -28.61 69.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -68.02 -51.98 40.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -60.61 -47.5 85.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -55.46 -50.7 69.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.23 -25.57 67.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.633 ' HA ' HG23 ' A' ' 98' ' ' VAL . 25.6 ttp85 -73.14 -55.89 5.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.452 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 1.6 mm-40 -53.71 -35.3 61.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.143 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -84.71 7.72 19.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.8 m120 45.54 48.16 11.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -139.37 31.04 2.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.738 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 1.4 t -60.13 -55.44 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -46.09 -40.35 10.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.54 -36.55 78.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -73.98 -10.02 59.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.668 ' CD2' HG21 ' A' ' 76' ' ' ILE . 31.3 mt -112.64 2.32 16.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 67.77 18.2 70.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.163 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.566 HD21 HG12 ' A' ' 10' ' ' ILE . 23.7 mt -91.68 -174.85 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 51.5 m -113.3 149.45 33.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -100.27 148.25 34.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -74.98 147.12 33.57 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.4 Cg_endo -75.06 109.11 2.87 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.477 1.777 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 125.03 -23.31 6.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.86 173.69 6.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.763 . . . . 0.0 110.015 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.92 -21.48 62.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -73.2 -25.74 60.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -97.39 -38.21 9.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.5 -62.54 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 75.1 t 41.28 89.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.9 t -156.61 107.3 2.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.003 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 168.48 153.69 8.4 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 165.22 31.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.2 t 53.32 100.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.0 p -153.46 126.47 8.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.958 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 t -167.53 -58.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 109.968 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -42.42 149.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.29 74.45 0.02 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.1 159.5 17.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.979 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.73 104.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.968 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.7 -177.75 47.4 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 103' ' ' GLY . 73.6 mtp -128.08 85.71 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.1 t -75.71 141.29 16.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 42' ' ' GLU . 10.5 mm -105.28 105.56 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -101.43 123.61 45.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 t -107.91 128.49 63.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 19.6 m-85 -97.76 97.35 8.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 46' ' ' ILE . 2.7 pt -105.26 -178.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -126.82 65.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 17' ' ' SER . 29.9 t -38.53 125.63 1.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.4 OUTLIER 85.07 54.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.984 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 p -104.27 113.95 27.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.006 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -47.66 -43.04 21.42 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.5 m -62.09 120.59 11.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.999 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 m -65.87 -49.63 67.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.11 -53.06 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.1 mt -57.08 -63.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -40.0 -56.69 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -54.81 -60.93 2.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -43.8 -57.49 3.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.406 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 29.4 mt-30 -52.6 -46.51 67.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.26 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -70.11 -15.7 63.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 110.25 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 25' ' ' LYS . 5.0 t0 -82.28 -35.51 27.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.574 HG22 ' CD2' ' A' ' 89' ' ' PHE . 41.8 t -81.12 -34.34 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.0 mt -76.75 -55.41 5.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.237 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.27 -37.7 18.21 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.499 ' CD1' ' ND2' ' A' ' 37' ' ' ASN . 60.7 t80 -64.69 -53.65 44.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 0.755 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.625 HD22 HG21 ' A' ' 39' ' ' ILE . 26.7 mt -62.31 -17.0 57.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -88.66 -39.17 14.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.86 -28.43 55.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.499 ' ND2' ' CD1' ' A' ' 33' ' ' PHE . 26.3 m-80 -89.9 8.56 31.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm 44.99 47.59 9.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.625 HG21 HD22 ' A' ' 34' ' ' LEU . 67.1 mt -90.62 154.51 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.71 78.92 1.15 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.537 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 35.4 p90 -111.02 175.97 5.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 0.782 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.1 mm-40 -130.73 150.62 51.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -104.62 112.79 26.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 14' ' ' ILE . 13.0 mmmt -115.03 110.81 20.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.401 ' OD1' ' HB3' ' A' ' 47' ' ' ALA . 3.8 t70 -88.35 131.3 34.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.489 HD12 ' HG3' ' A' ' 53' ' ' ARG . 16.5 pt -97.44 -27.24 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.401 ' HB3' ' OD1' ' A' ' 45' ' ' ASP . . . -52.94 -60.83 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.15 57.05 1.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 169.43 93.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -70.42 -52.56 21.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.279 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 12.9 pt-20 -37.12 -47.38 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.316 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.468 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 7.0 m-20 -61.89 -50.47 72.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.489 ' HG3' HD12 ' A' ' 46' ' ' ILE . 23.9 ttt180 -62.48 -54.03 46.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 1.3 ttmm -50.53 -64.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.424 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 77.0 t90 -48.08 -62.03 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 107.983 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.564 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 6.7 ttp -45.53 -49.65 13.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.54 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 47.8 mtt180 -52.22 -42.4 63.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.73 -22.95 62.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 4.2 m-80 -83.22 -49.02 9.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.871 HG11 ' HG3' ' A' ' 71' ' ' PRO . 7.0 t -40.6 134.76 1.59 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.497 ' HD3' ' CG ' ' A' ' 82' ' ' TYR . 18.2 Cg_endo -74.98 153.97 42.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -65.67 -21.65 66.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.38 -7.73 59.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.1 t -109.18 -27.34 9.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.979 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -60.91 145.16 89.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 67' ' ' ALA . 18.3 Cg_endo -74.98 171.77 17.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.481 1.78 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' PRO . . . -40.0 -47.41 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.6 t -155.93 140.08 16.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.389 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.26 -175.87 29.87 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.54 ' CD1' ' HD3' ' A' ' 57' ' ' ARG . 58.1 m-85 -77.05 162.12 70.96 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.41 0.712 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.871 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.01 139.01 23.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.7 mt -88.82 149.56 43.95 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.526 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.03 168.43 24.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.526 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.02 164.73 87.73 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.963 -2.515 . . . . 0.0 111.023 0.021 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -134.42 110.44 9.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.427 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -82.96 139.02 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.547 ' CE2' ' HB2' ' A' ' 82' ' ' TYR . 11.1 m-85 -146.88 129.04 15.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.516 ' O ' ' N ' ' A' ' 80' ' ' SER . 24.7 t-20 -83.52 96.82 8.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 65.92 -62.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -143.51 -38.3 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 109.985 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.2 162.9 26.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.547 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 3.3 t80 -100.94 141.86 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -111.72 -55.12 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.506 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 176.92 -176.96 48.23 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -112.99 179.65 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -39.9 -37.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.976 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.83 -58.76 6.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.69 -31.57 70.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.574 ' CD2' HG22 ' A' ' 30' ' ' VAL . 21.1 t80 -64.73 -52.84 54.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.424 ' CE2' ' CD ' ' A' ' 94' ' ' GLU . 43.1 t80 -61.09 -49.38 77.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -54.06 -54.57 37.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.19 -22.64 30.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.648 ' HA ' HG23 ' A' ' 98' ' ' VAL . 29.9 ttp180 -81.6 -49.07 10.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.424 ' CD ' ' CE2' ' A' ' 90' ' ' PHE . 5.6 mt-10 -57.15 -36.97 71.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -86.16 9.88 16.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.9 m120 44.99 62.04 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -153.7 25.46 0.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.648 HG23 ' HA ' ' A' ' 93' ' ' ARG . 1.5 t -53.69 -58.64 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.508 ' CE2' ' HD3' ' A' ' 107' ' ' PRO . 12.1 m-85 -42.28 -41.75 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.99 90.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 98' ' ' VAL . 22.2 t80 -68.57 -10.51 56.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.427 ' CD2' HG21 ' A' ' 76' ' ' ILE . 27.2 mt -112.69 -5.18 13.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.4 ' O ' ' SD ' ' A' ' 8' ' ' MET . . . 73.82 15.06 79.65 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.441 HD11 HG13 ' A' ' 10' ' ' ILE . 22.4 mt -89.54 -174.8 4.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 44.0 m -108.15 151.84 25.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.382 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -102.92 147.26 33.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.508 ' HD3' ' CE2' ' A' ' 99' ' ' TYR . 18.2 Cg_endo -75.04 147.72 34.16 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.536 1.808 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.4 Cg_endo -75.02 110.13 3.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.79 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 123.27 -30.12 5.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.402 1.063 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.13 172.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.604 ' O ' HG23 ' A' ' 115' ' ' VAL . 5.4 tptt -63.79 -38.85 92.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -55.72 -38.96 70.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.67 -40.19 29.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -63.66 -59.47 4.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 111' ' ' LYS . 77.8 t -40.88 -49.2 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 53.36 101.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.01 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -164.67 159.26 32.23 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.521 1.138 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 141.03 26.13 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.3 p -58.88 168.36 1.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.4 t -100.24 -58.01 2.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.021 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.426 1.079 . . . . 0.0 110.978 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 m -72.07 117.77 14.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 110.036 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 t -58.25 99.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.022 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.07 59.48 0.54 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -175.08 105.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 0.749 . . . . 0.0 109.98 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -100.72 82.47 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.55 178.76 22.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.11 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.446 ' CE ' ' HA3' ' A' ' 103' ' ' GLY . 37.8 mtp -119.95 90.34 3.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.447 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 1.3 t -75.04 151.18 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.627 HG13 HD11 ' A' ' 104' ' ' LEU . 17.1 mm -118.45 104.28 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 77' ' ' PHE . 42.4 mtt180 -101.1 125.74 47.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.261 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.51 HG12 HG23 ' A' ' 14' ' ' ILE . 47.9 t -107.32 130.11 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 22.2 m-85 -99.9 95.36 6.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.51 HG23 HG12 ' A' ' 12' ' ' VAL . 3.0 pt -105.06 164.96 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.432 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -113.88 65.54 0.66 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 15' ' ' ALA . 30.3 t -37.65 138.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.046 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.32 28.67 4.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.983 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.7 t -60.31 169.38 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.051 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.97 53.87 0.56 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -173.05 100.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.957 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -41.22 -32.78 0.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.03 -57.74 10.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.419 HG22 ' NE2' ' A' ' 27' ' ' GLN . 3.9 mt -55.98 -60.05 2.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' ILE . 7.8 mtpt -39.95 -55.36 2.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.113 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -59.22 -64.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -40.59 -57.87 1.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.419 ' NE2' HG22 ' A' ' 23' ' ' ILE . 30.9 mt-30 -51.58 -57.71 8.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -57.63 -21.31 38.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 25' ' ' LYS . 5.0 t70 -78.33 -33.66 49.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.586 HG22 ' CD2' ' A' ' 89' ' ' PHE . 77.5 t -82.0 -31.83 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.457 HD11 HD13 ' A' ' 14' ' ' ILE . 87.7 mt -79.24 -54.25 6.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.235 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.52 -37.44 19.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.608 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 59.8 t80 -64.42 -53.0 55.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 0.74 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.628 HD22 HG21 ' A' ' 39' ' ' ILE . 28.7 mt -63.26 -18.78 63.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -85.22 -44.73 12.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.64 -32.49 71.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -87.3 5.1 40.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 45.27 48.07 10.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.628 HG21 HD22 ' A' ' 34' ' ' LEU . 22.5 mt -86.52 151.48 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.75 70.56 3.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.549 1.155 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 28.4 p90 -106.61 176.19 5.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 10' ' ' ILE . 2.7 mm-40 -133.64 151.21 51.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -106.32 118.42 36.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.352 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -116.26 105.23 12.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -80.61 123.11 27.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.577 HD12 ' CD ' ' A' ' 53' ' ' ARG . 22.5 pt -93.7 -11.95 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.09 50.32 1.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -175.12 -67.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -93.83 90.81 6.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -50.72 -45.26 58.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' GLU . 11.2 pt-20 -36.35 -41.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -68.91 -55.67 10.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.577 ' CD ' HD12 ' A' ' 46' ' ' ILE . 31.3 ttt180 -56.64 -46.04 81.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -58.85 -67.68 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.74 ' CH2' ' ND2' ' A' ' 59' ' ' ASN . 89.0 t90 -45.48 -53.76 8.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 108.011 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.57 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 5.8 ttp -54.87 -40.42 69.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -64.58 -32.74 74.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -83.12 -20.47 34.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.74 ' ND2' ' CH2' ' A' ' 55' ' ' TRP . 3.9 m-20 -81.41 -55.65 4.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.581 HG11 ' HG3' ' A' ' 71' ' ' PRO . 76.4 t -44.31 128.63 4.67 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 154.27 42.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.489 1.783 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -64.57 -38.09 89.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -65.91 -11.46 47.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 32.7 m -110.45 -19.11 13.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 -65.7 163.96 30.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.417 ' C ' ' N ' ' A' ' 68' ' ' THR . 18.2 Cg_endo -75.04 164.5 33.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.573 1.828 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.33 -28.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.417 ' N ' ' C ' ' A' ' 66' ' ' PRO . 11.9 t -170.28 144.23 2.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.45 171.66 47.96 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.482 1.113 . . . . 0.0 110.984 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -61.6 161.69 19.09 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.581 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -75.02 122.79 7.41 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.557 1.82 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 72' ' ' LEU . 13.8 mt -82.3 150.24 63.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.513 ' HA ' ' C ' ' A' ' 74' ' ' PRO . 18.1 Cg_endo -75.01 167.26 27.42 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.488 1.783 . . . . 0.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 73' ' ' PRO . 18.5 Cg_endo -74.97 166.77 82.37 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.004 -2.498 . . . . 0.0 111.005 -0.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 -138.23 110.77 7.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.699 HD11 ' HB2' ' A' ' 89' ' ' PHE . 2.7 mp -76.48 127.19 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' A' ' 11' ' ' ARG . 1.8 m-85 -141.98 130.73 22.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' SER . 18.6 t-20 -102.59 98.35 8.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 62.82 -76.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.27 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -141.4 12.95 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.982 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 82' ' ' TYR . 4.1 tt0 -112.12 142.56 44.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.453 ' N ' ' HG3' ' A' ' 81' ' ' GLN . 9.9 t80 -95.82 115.22 27.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.682 HH21 ' N ' ' A' ' 103' ' ' GLY . 11.5 mmm180 -86.98 -53.1 5.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.427 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 169.43 -162.6 36.19 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.122 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -121.5 -171.43 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -44.93 -37.22 3.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.14 -55.24 34.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.65 -34.02 76.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.257 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.699 ' HB2' HD11 ' A' ' 76' ' ' ILE . 10.7 t80 -63.33 -37.53 87.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -77.27 -50.77 12.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -53.32 -56.11 19.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.66 -25.66 28.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.628 ' HA ' HG23 ' A' ' 98' ' ' VAL . 42.9 ttp85 -78.85 -44.36 23.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.58 -38.43 81.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -84.54 7.88 18.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 49.3 53.89 11.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -147.84 37.78 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.628 HG23 ' HA ' ' A' ' 93' ' ' ARG . 1.4 t -65.07 -60.01 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.451 ' N ' HG12 ' A' ' 98' ' ' VAL . 17.9 m-85 -42.79 -45.02 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.52 -41.99 96.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -67.32 -11.9 58.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.578 ' CD2' HG21 ' A' ' 76' ' ' ILE . 29.5 mt -112.7 1.89 15.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.682 ' N ' HH21 ' A' ' 83' ' ' ARG . . . 66.74 21.71 71.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.627 HD11 HG13 ' A' ' 10' ' ' ILE . 17.9 mt -97.49 -179.25 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 98.1 m -109.53 145.86 35.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 110.422 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -91.98 150.83 41.24 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.0 151.58 39.67 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.481 1.78 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.4 Cg_endo -75.04 57.36 4.57 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.798 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 170.78 39.52 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.73 -178.82 5.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 110.023 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.864 ' O ' HG13 ' A' ' 115' ' ' VAL . 0.0 OUTLIER -69.17 -36.32 77.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -60.46 -36.22 77.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -82.6 -32.22 28.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -73.16 -59.05 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.262 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.864 HG13 ' O ' ' A' ' 111' ' ' LYS . 20.2 m -40.74 102.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.47 160.12 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.168 . . . . 0.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 110.38 99.35 2.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 125.48 9.3 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.555 1.818 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.63 78.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.979 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.18 169.07 10.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.965 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.11 . . . . 0.0 111.04 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -165.86 107.43 0.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 0.733 . . . . 0.0 109.97 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.09 138.93 39.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.56 150.75 20.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.38 119.55 39.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 0.784 . . . . 0.0 109.988 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -145.46 79.14 1.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.047 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.26 -165.08 37.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -162.78 85.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.796 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.489 HG11 ' HE ' ' A' ' 11' ' ' ARG . 1.3 t -86.48 137.33 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.541 HG12 HD21 ' A' ' 104' ' ' LEU . 7.7 mm -100.85 105.13 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.489 ' HE ' HG11 ' A' ' 9' ' ' VAL . 22.8 mtt180 -101.3 127.97 47.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -113.7 130.84 67.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.405 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 29.0 m-85 -99.1 97.71 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.1 pt -105.23 168.11 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -115.6 63.65 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 17' ' ' SER . 37.2 t -37.74 128.28 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.9 OUTLIER 83.33 39.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.047 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.39 124.1 30.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.005 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -49.28 -51.66 25.53 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.33 102.61 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 110.005 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.1 m -49.25 -43.1 42.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.363 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.41 -53.53 5.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.7 mt -53.72 -58.53 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 23' ' ' ILE . 41.3 mtmt -40.36 -54.99 2.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -57.6 -62.74 1.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.456 ' HG2' ' CE2' ' A' ' 86' ' ' TYR . 24.4 mttt -40.59 -59.11 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -51.15 -49.06 61.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -63.61 -27.79 69.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 25' ' ' LYS . 17.1 t0 -70.96 -30.34 66.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.7 t -81.54 -30.76 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.1 mt -79.18 -54.24 6.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.54 -42.63 35.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.616 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 38.8 t80 -61.05 -54.84 39.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 0.771 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.583 HD23 HD12 ' A' ' 39' ' ' ILE . 43.1 mt -60.09 -25.4 65.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -79.73 -41.4 26.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.297 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.46 -25.97 60.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -91.73 4.38 52.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt 48.09 48.33 18.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.583 HD12 HD23 ' A' ' 34' ' ' LEU . 74.7 mt -92.86 146.94 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.64 74.47 2.35 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 47.9 p90 -103.73 175.95 5.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.6 mm-40 -130.56 150.4 51.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -105.11 111.22 23.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -112.26 118.83 36.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.67 132.43 35.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.63 HD12 ' HE ' ' A' ' 53' ' ' ARG . 17.1 pt -104.68 -21.63 5.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.5 -57.95 8.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.73 -86.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -43.63 114.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -54.71 5.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 9.8 pt-20 -39.45 -47.49 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.257 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.476 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 9.8 m-20 -58.17 -50.39 73.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.63 ' HE ' HD12 ' A' ' 46' ' ' ILE . 12.5 ttt180 -63.54 -53.3 54.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 110.348 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 55' ' ' TRP . 1.7 ttmm -56.51 -64.85 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.607 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 92.2 t90 -41.93 -61.57 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 107.987 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.46 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 2.2 ttp -43.69 -48.27 7.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.562 ' NE ' ' CG ' ' A' ' 70' ' ' TYR . 0.7 OUTLIER -59.0 -39.28 81.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.31 -13.32 60.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.607 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 2.1 m-80 -94.79 -51.58 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.794 HG11 ' HG3' ' A' ' 71' ' ' PRO . 16.3 t -40.22 132.22 1.6 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.42 ' HD3' ' CG ' ' A' ' 82' ' ' TYR . 18.5 Cg_endo -74.89 154.39 43.04 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -59.88 -45.11 93.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -58.12 -17.02 15.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.6 t -98.9 -30.26 12.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -62.02 147.18 90.72 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 168.81 24.01 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.535 1.808 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -40.18 -51.62 2.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.1 t -147.43 145.95 29.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.95 -173.82 36.76 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.555 1.16 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.562 ' CG ' ' NE ' ' A' ' 57' ' ' ARG . 81.5 m-85 -83.44 163.13 51.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.794 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.97 129.53 12.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.5 mt -83.41 151.1 61.74 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.525 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.03 168.4 24.89 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.525 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.1 Cg_endo -75.0 170.24 72.38 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.942 0.044 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -139.96 112.15 7.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.473 HG21 ' CD2' ' A' ' 102' ' ' LEU . 3.0 mp -82.35 139.05 18.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.553 ' CE1' ' HB2' ' A' ' 82' ' ' TYR . 11.4 m-85 -146.83 128.8 15.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' A' ' 80' ' ' SER . 23.2 t-20 -86.08 96.35 9.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 66.5 -59.79 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -145.78 -37.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.99 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 160.97 29.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.553 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 1.9 t80 -100.85 141.01 34.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -108.86 -59.91 1.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.462 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . -178.49 -176.13 46.15 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -110.33 -176.82 3.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.456 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 3.2 t80 -45.11 -36.94 3.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -61.47 -51.93 66.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.12 -32.21 73.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -65.57 -41.1 93.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -70.58 -46.68 63.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -58.87 -52.41 65.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.14 -23.74 56.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.54 ' HA ' HG23 ' A' ' 98' ' ' VAL . 2.6 ttp85 -75.01 -54.01 7.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -54.08 -36.76 63.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -83.02 5.59 21.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 47.71 38.79 9.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -128.57 29.55 5.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.616 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -56.82 -58.14 6.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.497 ' N ' HG12 ' A' ' 98' ' ' VAL . 9.5 m-85 -42.56 -42.35 3.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 111.011 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.71 93.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.449 ' N ' ' O ' ' A' ' 98' ' ' VAL . 18.8 t80 -70.45 -9.48 56.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.48 ' O ' HD11 ' A' ' 10' ' ' ILE . 22.6 mt -113.62 1.59 14.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 65.3 27.4 72.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.541 HD21 HG12 ' A' ' 10' ' ' ILE . 22.0 mt -101.39 -178.02 3.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 88.8 m -110.44 143.84 40.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.417 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.418 ' HB1' ' HB2' ' A' ' 112' ' ' GLU . . . -98.2 148.85 35.08 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.0 147.3 33.73 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.48 1.779 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.3 Cg_endo -74.97 119.21 5.56 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 117.04 -31.12 5.99 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.21 170.69 5.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 110.013 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.939 ' O ' HG12 ' A' ' 115' ' ' VAL . 0.0 OUTLIER -59.21 -51.49 69.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.418 ' HB2' ' HB1' ' A' ' 106' ' ' ALA . 12.0 mp0 -42.41 -46.36 4.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -72.08 -44.11 63.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -58.81 -67.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.939 HG12 ' O ' ' A' ' 111' ' ' LYS . 3.2 p -44.32 -36.47 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.1 143.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -173.81 -173.46 39.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.132 . . . . 0.0 110.998 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 169.62 22.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.524 1.802 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.71 -59.67 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.965 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.5 t -57.63 -57.55 12.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -152.64 166.66 31.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 110.023 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.82 128.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.64 175.31 23.26 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.67 115.21 9.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 110.004 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.54 150.39 28.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 110.039 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.91 120.75 2.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.3 mtm 61.21 85.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 t -80.53 136.55 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.522 HG12 HD21 ' A' ' 104' ' ' LEU . 7.6 mm -101.93 104.97 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.2 mtt-85 -101.09 123.69 45.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -107.12 129.84 60.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 16.2 m-85 -98.07 97.67 9.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.0 pt -105.18 173.55 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.53 64.69 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 17' ' ' SER . 29.5 t -38.38 122.32 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.939 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.3 OUTLIER 84.8 38.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.014 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.28 147.47 38.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.16 55.84 3.24 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.542 1.151 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -173.05 97.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.963 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.2 m -40.66 -44.91 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.409 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.4 -54.32 6.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.8 mt -59.91 -59.75 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ILE . 43.6 mtmt -40.17 -54.3 2.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.03 -63.23 1.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.545 ' HG2' ' CE2' ' A' ' 86' ' ' TYR . 22.2 mttt -40.79 -58.41 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -50.6 -45.04 57.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -66.8 -35.94 81.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -63.44 -29.28 70.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.8 t -81.46 -36.96 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.6 mt -73.82 -54.66 7.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.03 -42.46 23.31 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.523 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 56.4 t80 -62.01 -56.19 21.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.777 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.567 HD22 HG21 ' A' ' 39' ' ' ILE . 46.0 mt -59.51 -23.35 62.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -82.38 -44.47 16.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.16 -30.23 69.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -89.28 1.73 55.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 mttp 49.57 54.8 10.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.567 HG21 HD22 ' A' ' 34' ' ' LEU . 48.3 mt -96.16 148.62 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.29 71.77 2.77 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 49.9 p90 -102.39 176.32 5.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 0.788 . . . . 0.0 111.048 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.3 mm-40 -131.11 151.02 51.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -105.08 111.82 24.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -112.84 118.6 35.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -90.46 137.83 32.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.58 HD12 ' HG3' ' A' ' 53' ' ' ARG . 17.3 pt -110.56 -17.61 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.41 -54.77 23.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.72 -73.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.94 126.13 28.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -49.36 7.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 52' ' ' ASN . 16.1 pt-20 -38.39 -50.38 1.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 110.349 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.424 ' O ' ' CB ' ' A' ' 56' ' ' MET . 9.7 m-20 -53.02 -53.69 46.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.58 ' HG3' HD12 ' A' ' 46' ' ' ILE . 25.6 ttt180 -60.58 -55.53 32.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -53.4 -65.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.401 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 83.1 t90 -45.81 -60.48 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.568 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 5.7 ttp -45.16 -48.73 12.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.559 ' NE ' ' CD1' ' A' ' 70' ' ' TYR . 11.9 mtp180 -56.82 -41.77 78.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -69.94 -19.16 63.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 2.7 m-80 -88.88 -47.41 8.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.83 HG11 ' HG3' ' A' ' 71' ' ' PRO . 37.9 t -43.89 132.45 4.1 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 151.66 39.94 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.461 1.769 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -64.42 -33.91 76.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -71.28 -7.8 49.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.1 m -112.6 -20.37 11.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -65.33 143.75 98.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.453 ' HG3' ' HA ' ' A' ' 71' ' ' PRO . 18.2 Cg_endo -75.02 -162.11 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.789 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -98.19 -45.77 6.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.664 HG23 ' H ' ' A' ' 69' ' ' GLY . 0.1 OUTLIER -45.27 -80.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.392 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.664 ' H ' HG23 ' A' ' 68' ' ' THR . . . -154.97 -91.31 0.08 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.559 ' CD1' ' NE ' ' A' ' 57' ' ' ARG . 27.7 m-85 -90.59 163.25 31.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.83 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.99 131.22 14.06 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.799 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.5 mt -87.33 151.42 51.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.513 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.1 Cg_endo -75.04 167.93 25.92 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.45 1.763 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.513 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.02 155.78 99.94 Favored 'Cis proline' 0 C--N 1.361 1.196 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.006 0.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -125.93 110.32 13.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.371 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.558 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.6 mp -83.62 138.86 18.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.568 ' CE1' ' HG3' ' A' ' 56' ' ' MET . 11.3 m-85 -145.39 129.47 17.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.521 ' O ' ' N ' ' A' ' 80' ' ' SER . 20.2 t-20 -84.93 96.83 9.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 65.93 -61.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -145.18 -38.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.05 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.47 163.23 21.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.496 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 14.6 t80 -97.51 149.11 22.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -119.04 -55.68 2.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.496 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 171.01 -174.14 44.74 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.2 p-10 -113.56 177.69 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.275 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.545 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -40.21 -35.46 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 111.056 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.94 -54.34 46.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.37 -34.23 77.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -61.85 -50.78 70.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -60.85 -49.47 77.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -56.27 -54.51 44.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.252 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.29 -23.83 25.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.427 ' N ' HG23 ' A' ' 98' ' ' VAL . 15.4 ttp180 -77.49 -54.4 6.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.75 -37.75 63.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -85.84 9.95 15.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 42.42 57.55 3.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -143.87 17.8 1.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.523 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -48.06 -58.65 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.503 ' N ' HG12 ' A' ' 98' ' ' VAL . 10.0 m-85 -40.98 -45.5 2.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.88 95.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 98' ' ' VAL . 17.0 t80 -67.38 -9.33 40.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.558 ' CD2' HG21 ' A' ' 76' ' ' ILE . 27.2 mt -113.19 -1.45 14.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.85 21.2 76.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.522 HD21 HG12 ' A' ' 10' ' ' ILE . 22.7 mt -95.3 -174.75 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 97.9 m -113.31 145.6 40.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.374 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -95.65 150.98 38.18 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.05 146.62 32.67 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.811 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.3 Cg_endo -74.99 77.8 3.04 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.518 1.799 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 140.13 49.86 0.05 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 113' ' ' ALA . 0.6 OUTLIER -148.12 162.47 39.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 110.031 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.663 ' O ' HG23 ' A' ' 115' ' ' VAL . 0.5 OUTLIER -45.17 -52.55 9.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -48.36 -34.21 10.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 110' ' ' SER . . . -82.71 -46.56 13.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 115' ' ' VAL . 57.0 mm-40 -62.36 -70.41 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.251 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 111' ' ' LYS . 39.4 t 40.01 73.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 29.9 t -150.12 108.07 3.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 164.95 -167.69 38.78 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 112.31 3.53 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.47 1.774 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 76.4 p -157.49 157.79 34.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.7 p -119.6 -57.37 1.98 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.962 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -91.97 90.28 7.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 110.012 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.18 163.94 11.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.97 122.0 1.27 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.82 141.83 50.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.783 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.02 138.48 38.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.77 -155.07 6.54 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.6 ptt? -164.19 85.06 0.45 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 0.767 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.1 t -85.07 140.45 15.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.48 HG12 HD21 ' A' ' 104' ' ' LEU . 10.2 mm -105.2 104.92 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 77' ' ' PHE . 34.2 mtt180 -101.22 129.68 47.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.6 t -116.31 133.3 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 7.5 m-85 -103.2 98.64 8.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.0 pt -105.12 169.97 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.13 65.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.475 ' O ' ' CB ' ' A' ' 17' ' ' SER . 29.9 t -38.36 124.14 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 16' ' ' SER . 1.0 OUTLIER 83.61 46.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.027 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.84 125.48 33.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.87 -49.0 13.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -70.92 126.97 31.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.791 . . . . 0.0 110.041 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 m -67.84 -40.34 83.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.385 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.14 -57.25 4.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.0 mt -51.32 -59.88 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -43.26 -44.41 5.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -67.98 -62.37 1.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -40.75 -59.08 1.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.433 ' HB3' HG21 ' A' ' 14' ' ' ILE . 30.5 mt-30 -49.01 -46.92 44.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -65.24 -30.03 70.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -68.85 -30.7 69.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.0 t -81.68 -38.22 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.2 mt -71.54 -56.65 5.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -46.11 -43.78 13.71 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.703 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 33.6 t80 -61.06 -56.54 19.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 0.795 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.589 HD22 HG21 ' A' ' 39' ' ' ILE . 64.5 mt -58.79 -21.58 56.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -83.43 -41.84 17.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.45 -26.9 62.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -91.94 9.25 33.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm 43.28 50.15 5.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.589 HG21 HD22 ' A' ' 34' ' ' LEU . 71.7 mt -93.07 145.26 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.01 77.4 2.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.451 1.095 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 51.1 p90 -107.22 176.17 5.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.9 OUTLIER -129.8 149.97 51.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -106.57 114.91 29.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 14' ' ' ILE . 11.8 mmmt -114.78 115.38 26.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -87.07 133.39 33.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 14' ' ' ILE . 20.0 pt -107.65 -14.35 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.88 -44.18 93.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.61 -72.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -56.4 122.98 13.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.03 -56.88 3.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.477 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 9.4 pt-20 -38.88 -47.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.477 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 9.0 m-20 -54.06 -60.18 3.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.475 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 38.5 ttt180 -55.44 -57.45 11.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 1.3 ttmm -49.88 -68.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.737 ' CZ2' ' ND2' ' A' ' 59' ' ' ASN . 89.7 t90 -43.75 -55.52 4.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 108.033 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.595 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 3.8 ttp -48.07 -46.41 33.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.428 ' NE ' ' CD1' ' A' ' 70' ' ' TYR . 9.6 mtt180 -60.46 -42.33 95.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.12 -17.02 63.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.737 ' ND2' ' CZ2' ' A' ' 55' ' ' TRP . 3.1 m120 -90.83 -53.11 4.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.655 HG11 ' HG3' ' A' ' 71' ' ' PRO . 25.2 t -40.56 129.63 1.8 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.39 36.61 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.47 -20.34 66.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -81.56 -9.78 59.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 m -111.35 -23.88 10.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -55.95 158.72 6.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.271 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.415 ' C ' ' N ' ' A' ' 68' ' ' THR . 18.3 Cg_endo -74.97 170.99 19.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 110.989 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.94 -26.25 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.415 ' N ' ' C ' ' A' ' 66' ' ' PRO . 3.2 t -175.33 147.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.65 -165.18 32.06 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.428 ' CD1' ' NE ' ' A' ' 57' ' ' ARG . 79.2 m-85 -81.12 162.55 58.92 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.459 0.741 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.655 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.98 115.26 4.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.469 1.773 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.8 mt -74.94 149.22 85.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.512 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.03 168.04 25.7 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.559 1.821 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.512 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -74.99 170.63 71.33 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.986 0.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.497 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 56.4 mm-40 -143.09 111.35 6.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 110.29 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.561 HG21 ' CD2' ' A' ' 102' ' ' LEU . 3.2 mp -82.97 135.16 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.595 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 55.8 m-85 -141.83 128.96 20.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 80' ' ' SER . 34.1 t-20 -86.44 97.38 10.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 66.39 -66.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -141.02 -36.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.996 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.53 171.23 6.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.508 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 6.7 t80 -108.64 145.31 35.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -113.26 -59.05 2.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.508 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 175.27 176.54 43.62 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -102.39 179.65 4.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.438 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 1.1 t80 -41.82 -37.47 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -58.17 8.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.61 -29.63 69.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.519 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 6.8 t80 -68.94 -34.91 76.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 90' ' ' PHE . 3.3 t80 -76.28 -48.37 20.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.425 ' HA ' ' CG ' ' A' ' 94' ' ' GLU . 17.0 tt0 -56.0 -33.62 65.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . -79.25 -17.63 54.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.617 ' CA ' HG23 ' A' ' 98' ' ' VAL . 42.5 ttp180 -86.53 -51.42 6.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.425 ' CG ' ' HA ' ' A' ' 91' ' ' GLU . 0.3 OUTLIER -55.61 -34.78 65.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.357 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -88.48 9.29 24.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.339 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 47.22 53.31 10.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -142.25 24.74 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.703 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -53.1 -59.19 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.495 ' N ' HG12 ' A' ' 98' ' ' VAL . 9.7 m-85 -40.7 -45.19 2.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.87 -44.56 95.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.519 ' CE2' ' HA ' ' A' ' 89' ' ' PHE . 23.8 t80 -66.45 -8.51 26.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.561 ' CD2' HG21 ' A' ' 76' ' ' ILE . 19.4 mt -114.92 -0.83 13.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.54 18.99 74.25 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.48 HD21 HG12 ' A' ' 10' ' ' ILE . 21.8 mt -93.53 -173.86 3.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 0.751 . . . . 0.0 109.274 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 54.8 m -114.16 150.1 34.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.36 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.452 ' HB1' ' HB2' ' A' ' 112' ' ' GLU . . . -101.41 146.78 32.8 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.01 147.61 34.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.1 Cg_endo -75.03 109.72 2.98 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 125.26 -27.58 5.28 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.473 1.108 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.26 175.82 3.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 0.803 . . . . 0.0 110.006 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -42.99 82.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.452 ' HB2' ' HB1' ' A' ' 106' ' ' ALA . 10.3 mp0 -52.72 -25.36 10.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -94.11 -44.26 8.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -57.17 -67.15 0.35 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 110.305 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.8 t 41.14 89.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.244 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.8 t -152.14 99.01 2.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.967 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -139.74 -156.28 6.88 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -53.55 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.3 p -166.26 165.19 17.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 29.5 t -120.48 143.49 48.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.15 . . . . 0.0 110.974 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -174.27 97.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 0.741 . . . . 0.0 109.951 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 p -145.46 149.03 33.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.973 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.35 -178.79 17.55 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -154.57 151.75 29.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.78 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -117.1 -61.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.25 178.76 32.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' A' ' 103' ' ' GLY . 90.3 mtp -131.1 84.61 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.766 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.435 ' CG1' ' OE2' ' A' ' 42' ' ' GLU . 0.9 OUTLIER -76.41 142.79 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.653 HG13 HD11 ' A' ' 104' ' ' LEU . 9.4 mm -104.66 108.32 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.451 ' NH2' ' OH ' ' A' ' 13' ' ' TYR . 26.9 mtp180 -100.58 126.7 47.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.494 HG12 HG23 ' A' ' 14' ' ' ILE . 57.7 t -113.49 126.71 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 4.0 m-85 -100.64 98.07 8.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.494 HG23 HG12 ' A' ' 12' ' ' VAL . 2.4 pt -105.29 179.65 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -126.66 67.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 15' ' ' ALA . 13.3 t -33.94 -44.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.017 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.411 ' H ' ' HB3' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -91.99 69.54 5.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.57 -171.4 1.9 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -146.34 41.1 1.01 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.544 1.152 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -156.62 111.5 2.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 110.02 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 m -46.32 -47.56 18.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.383 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.33 -57.56 2.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mt -55.14 -63.78 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -40.25 -50.52 2.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -60.57 -65.5 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HD3' ' CD1' ' A' ' 86' ' ' TYR . 31.4 mttt -40.39 -56.78 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -51.43 -52.45 46.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -63.67 -22.69 67.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 25' ' ' LYS . 1.6 t70 -76.66 -32.84 58.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.493 HG21 ' HG2' ' A' ' 74' ' ' PRO . 79.4 t -81.04 -31.24 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 78.8 mt -79.42 -54.37 5.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.64 -37.42 13.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.627 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 68.8 t80 -64.44 -58.24 6.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.703 HD22 HG21 ' A' ' 39' ' ' ILE . 22.7 mt -57.29 -19.15 20.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -86.06 -48.46 8.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.97 -30.71 70.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -88.11 2.87 51.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.588 1.18 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm 50.2 42.22 25.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.703 HG21 HD22 ' A' ' 34' ' ' LEU . 16.7 mt -83.88 152.99 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.05 81.92 1.29 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.535 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 31.0 p90 -115.75 175.66 5.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.2 mt-10 -133.41 138.15 46.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -92.62 114.65 27.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 14' ' ' ILE . 5.9 mmmt -115.06 120.43 39.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -93.45 127.52 39.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.683 HD12 ' HG3' ' A' ' 53' ' ' ARG . 18.9 pt -94.1 -21.68 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.411 ' HB3' ' H ' ' A' ' 17' ' ' SER . . . -84.2 50.7 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -175.12 -55.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -98.67 84.52 3.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.56 -46.75 14.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 13.6 pt-20 -40.38 -47.47 2.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 56' ' ' MET . 5.5 m-20 -61.9 -59.36 5.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.683 ' HG3' HD12 ' A' ' 46' ' ' ILE . 12.5 ttt180 -52.25 -48.31 65.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.358 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.427 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 2.9 tttp -58.93 -73.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.239 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.751 ' CZ2' ' ND2' ' A' ' 59' ' ' ASN . 84.9 t90 -43.5 -52.33 6.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 108.009 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.589 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 4.9 ttp -53.79 -40.31 66.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.64 ' NE ' ' CE1' ' A' ' 70' ' ' TYR . 11.0 mtp180 -66.99 -32.3 73.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.84 -13.68 57.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.751 ' ND2' ' CZ2' ' A' ' 55' ' ' TRP . 3.7 m-20 -90.03 -52.8 4.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.713 HG11 ' HG3' ' A' ' 71' ' ' PRO . 25.1 t -39.7 132.6 1.39 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.11 37.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.511 1.795 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -66.95 -13.27 61.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 110.26 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -88.56 -9.42 52.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 m -111.22 -22.97 11.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.01 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -55.66 157.56 7.34 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.247 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 175.51 11.14 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.779 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.402 ' O ' ' HB ' ' A' ' 68' ' ' THR . . . -54.16 -24.45 18.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 67' ' ' ALA . 8.8 t -175.08 138.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.372 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.13 173.91 43.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.64 ' CE1' ' NE ' ' A' ' 57' ' ' ARG . 61.5 m-85 -59.29 161.31 10.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.767 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.713 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.96 123.68 8.09 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.53 1.805 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.3 mt -77.08 149.94 80.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.541 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.01 168.87 23.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.794 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.541 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -74.99 172.64 62.0 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.987 -2.506 . . . . 0.0 111.01 -0.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.437 ' HG2' ' HA ' ' A' ' 73' ' ' PRO . 47.0 mm-40 -143.15 110.69 5.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.341 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.675 HG21 ' CD2' ' A' ' 102' ' ' LEU . 3.3 mt -84.75 137.8 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.589 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 43.2 m-85 -143.47 128.96 19.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' A' ' 80' ' ' SER . 18.8 t-20 -84.3 96.36 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 66.06 -58.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.3 OUTLIER -148.98 -40.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.72 162.79 12.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.412 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 6.5 t80 -99.46 138.45 36.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -109.95 -62.2 1.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.35 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -179.78 -178.02 48.24 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.587 1.179 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 88' ' ' ALA . 36.2 p-10 -113.99 178.01 4.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.461 ' CD1' ' HD3' ' A' ' 26' ' ' LYS . 1.7 t80 -39.03 -36.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.33 -53.97 49.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 85' ' ' ASP . . . -64.69 -35.69 81.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.484 ' CD2' HG22 ' A' ' 30' ' ' VAL . 16.4 t80 -58.82 -47.78 83.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -64.43 -53.06 54.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -52.12 -56.62 13.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.17 -27.2 44.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.8 ttp85 -74.43 -51.51 14.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -52.01 -39.65 59.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -87.6 11.97 13.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 42.45 53.21 4.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -133.98 11.86 3.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.627 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -42.46 -62.96 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.621 ' N ' HG12 ' A' ' 98' ' ' VAL . 14.8 m-85 -41.54 -47.57 3.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.12 95.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 98' ' ' VAL . 9.2 t80 -70.1 -12.41 61.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.99 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.675 ' CD2' HG21 ' A' ' 76' ' ' ILE . 31.0 mt -111.22 2.75 17.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.402 ' O ' ' SD ' ' A' ' 8' ' ' MET . . . 66.84 15.57 64.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.653 HD11 HG13 ' A' ' 10' ' ' ILE . 17.8 mt -91.42 -176.91 4.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.785 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 86.2 m -111.98 145.49 39.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.386 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -88.74 147.26 38.83 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.525 ' HD3' ' CE2' ' A' ' 99' ' ' TYR . 18.6 Cg_endo -74.98 147.07 33.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 111.038 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.1 Cg_endo -75.03 81.53 2.2 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.522 1.801 . . . . 0.0 110.927 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 136.64 45.23 0.09 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.451 ' H ' ' HB3' ' A' ' 113' ' ' ALA . 0.6 OUTLIER -142.35 164.79 29.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 110.004 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.86 -54.21 8.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -47.72 -39.46 17.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.451 ' HB3' ' H ' ' A' ' 110' ' ' SER . . . -77.98 -47.2 19.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -54.73 -69.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.465 ' O ' HG12 ' A' ' 115' ' ' VAL . 25.4 t 40.12 85.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.87 104.65 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.011 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -156.21 -151.53 5.96 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.533 1.146 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 58.05 4.77 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.5 1.789 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 61.6 m 46.94 76.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.049 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.86 127.77 6.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.0 110.973 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.5 p -139.28 93.35 2.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 0.749 . . . . 0.0 109.983 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.18 166.4 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.034 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.58 101.63 0.16 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.68 98.45 9.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.763 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -165.67 161.81 18.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.038 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' C ' ' CG ' ' A' ' 8' ' ' MET . . . -134.5 106.31 0.59 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.437 ' CG ' ' C ' ' A' ' 7' ' ' GLY . 3.0 ptt? 35.47 83.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 0.752 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -85.91 150.68 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 42' ' ' GLU . 11.7 mm -117.21 106.78 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.453 ' NH2' ' OH ' ' A' ' 13' ' ' TYR . 29.4 mtp180 -100.15 123.43 44.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.471 HG12 HG23 ' A' ' 14' ' ' ILE . 89.2 t -108.04 126.67 64.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 4.2 m-85 -101.01 100.41 11.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.471 HG23 HG12 ' A' ' 12' ' ' VAL . 2.6 pt -104.8 164.25 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -109.43 62.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 15' ' ' ALA . 30.2 t -37.36 135.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.42 37.49 1.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.975 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.6 t -76.7 149.52 36.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.936 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.32 59.7 2.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -177.53 101.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 m -43.52 -44.03 5.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.436 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.04 -57.69 2.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.7 mt -55.19 -62.35 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' ILE . 38.0 mtmt -39.11 -59.51 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -54.54 -62.59 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -42.28 -58.51 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.407 ' HB3' HG21 ' A' ' 14' ' ' ILE . 31.2 mt-30 -51.5 -45.3 62.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -68.76 -22.47 64.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 25' ' ' LYS . 2.9 t70 -76.29 -31.55 58.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.468 HG21 ' HG2' ' A' ' 74' ' ' PRO . 75.8 t -81.81 -35.55 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.9 mt -74.05 -56.41 4.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -45.94 -45.56 14.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.591 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 50.7 t80 -59.51 -58.34 9.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 0.758 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.787 HD23 HD12 ' A' ' 39' ' ' ILE . 64.8 mt -55.82 -23.12 28.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -82.29 -42.25 19.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.33 -26.17 61.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -92.3 6.66 46.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm 44.26 50.23 7.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.787 HD12 HD23 ' A' ' 34' ' ' LEU . 97.0 mt -92.21 147.46 5.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.26 77.05 2.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 45.7 p90 -109.66 176.43 5.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.3 mm-40 -132.79 149.67 52.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.318 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -104.96 117.82 34.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 14' ' ' ILE . 4.8 mmmt -118.82 121.9 41.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -91.55 126.5 36.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.458 HD12 ' NE ' ' A' ' 53' ' ' ARG . 30.4 pt -97.0 -19.31 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.44 -58.26 9.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.12 -76.45 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -49.74 114.87 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.78 -53.26 6.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 52' ' ' ASN . 13.4 pt-20 -40.41 -52.16 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.418 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 1.3 m120 -53.24 -58.98 5.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.458 ' NE ' HD12 ' A' ' 46' ' ' ILE . 45.4 ttt180 -55.05 -55.78 27.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 1.7 tttp -52.53 -68.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.741 ' CH2' ' ND2' ' A' ' 59' ' ' ASN . 76.0 t90 -44.17 -50.69 8.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 107.979 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.572 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 6.9 ttp -53.56 -49.75 67.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.572 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 81.5 mtm180 -60.67 -24.53 65.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -89.37 -22.3 22.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.741 ' ND2' ' CH2' ' A' ' 55' ' ' TRP . 3.0 m120 -83.72 -48.17 10.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.842 HG11 ' HG3' ' A' ' 71' ' ' PRO . 25.3 t -40.75 133.31 1.74 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 150.0 37.8 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.53 1.805 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -66.07 -17.75 64.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -85.49 -6.76 59.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.8 m -117.86 -8.48 10.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 57' ' ' ARG . 14.6 mtt180 -73.17 143.56 83.61 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.448 ' HG3' ' HA ' ' A' ' 71' ' ' PRO . 18.4 Cg_endo -75.0 -162.24 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.537 1.809 . . . . 0.0 110.973 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -109.8 -46.54 3.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.437 HG22 ' H ' ' A' ' 68' ' ' THR . 0.1 OUTLIER -48.41 -54.69 13.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.399 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -170.12 -122.94 0.66 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 57' ' ' ARG . 30.1 m-85 -75.47 167.17 39.17 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 110.954 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.842 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.04 135.16 18.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.4 mt -96.23 154.53 38.74 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.516 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.0 168.04 25.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.803 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.516 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -74.96 155.15 99.99 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.988 -0.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -125.28 111.63 15.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.552 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -83.9 128.11 39.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 7.9 m-85 -136.13 129.6 32.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 80' ' ' SER . 18.3 t-20 -90.12 98.45 11.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 57.49 -84.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.233 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -122.68 -4.99 8.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -101.68 166.82 10.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.437 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 19.4 t80 -111.28 151.54 28.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -119.56 -62.65 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.437 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 176.66 -170.07 42.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -113.37 -175.96 2.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 0.751 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.414 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.0 OUTLIER -44.74 -32.82 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.76 -59.51 4.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.7 -34.05 72.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.404 ' CD2' HG22 ' A' ' 30' ' ' VAL . 15.5 t80 -62.09 -52.29 64.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -61.06 -48.02 83.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -58.18 -53.25 60.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.71 -23.13 27.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.531 ' HA ' HG23 ' A' ' 98' ' ' VAL . 22.1 ttp180 -80.25 -45.19 18.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -61.1 -40.06 92.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -81.0 2.9 24.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 52.88 51.75 15.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -143.16 31.93 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.591 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -59.59 -62.18 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.281 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.55 ' N ' HG12 ' A' ' 98' ' ' VAL . 7.8 m-85 -40.17 -43.17 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.12 -44.97 86.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' A' ' 98' ' ' VAL . 17.9 t80 -64.48 -10.54 26.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.552 ' CD2' HG21 ' A' ' 76' ' ' ILE . 30.9 mt -112.48 -1.17 15.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.45 21.78 76.19 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.5 mt -96.11 -177.66 4.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 83.5 m -108.88 146.57 33.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.433 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.456 ' CB ' ' HB3' ' A' ' 112' ' ' GLU . . . -94.91 148.41 34.69 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.439 ' HD3' ' CE2' ' A' ' 99' ' ' TYR . 18.2 Cg_endo -74.94 147.05 33.66 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.491 1.785 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.2 Cg_endo -75.09 81.07 2.31 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.54 1.811 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 136.31 47.61 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.453 ' H ' ' HB3' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -145.56 164.13 32.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 110.006 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 110' ' ' SER . 0.4 OUTLIER -40.24 -56.47 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.468 ' O ' HG23 ' A' ' 115' ' ' VAL . 0.5 OUTLIER -45.91 -53.15 10.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 110.26 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.453 ' HB3' ' H ' ' A' ' 110' ' ' SER . . . -62.91 -50.48 70.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 115' ' ' VAL . 74.5 mm-40 -54.4 -71.8 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.572 ' O ' HG12 ' A' ' 115' ' ' VAL . 9.7 t 40.27 84.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.6 t -160.71 141.08 11.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.976 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 142.03 174.78 14.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -55.13 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.9 t -40.58 130.54 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 59.6 p -43.68 142.36 1.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m 39.72 80.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 110.039 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m 64.2 91.05 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 110.002 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.14 155.4 26.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.434 1.084 . . . . 0.0 111.045 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 m -131.62 -59.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 109.987 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 m -76.21 167.38 21.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.956 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.96 -133.93 10.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.432 ' CE ' ' O ' ' A' ' 103' ' ' GLY . 0.5 OUTLIER 39.7 85.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 111.018 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 t -89.86 137.98 20.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.586 HG12 HD21 ' A' ' 104' ' ' LEU . 8.4 mm -103.06 104.54 16.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -100.83 125.05 47.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.4 t -108.8 135.28 48.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 21.6 m-85 -103.08 94.76 5.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.959 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 44' ' ' LYS . 1.9 pt -104.63 -177.25 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -131.92 71.95 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.165 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 15' ' ' ALA . 6.6 t -33.44 -45.8 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 110.023 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.518 ' HB3' ' HB1' ' A' ' 47' ' ' ALA . 0.7 OUTLIER -68.89 -71.03 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.029 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.445 ' OG ' ' HB3' ' A' ' 15' ' ' ALA . 0.4 OUTLIER 45.51 -170.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.03 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -134.9 -45.12 0.1 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.55 161.91 27.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 0.736 . . . . 0.0 109.998 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 m -89.4 -46.74 8.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.62 -49.26 2.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mt -54.95 -60.99 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -41.19 -48.84 3.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -63.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -40.66 -57.91 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.421 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 29.2 mt-30 -51.76 -43.93 63.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -67.17 -21.89 65.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.254 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -79.01 -33.51 44.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.488 HG21 ' HG2' ' A' ' 74' ' ' PRO . 61.6 t -80.84 -32.36 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.2 mt -79.0 -54.59 5.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.409 1.068 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.78 -38.79 37.74 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.445 1.09 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.441 ' CE2' HG11 ' A' ' 98' ' ' VAL . 56.9 t80 -62.7 -55.65 24.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.572 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 23.9 mt -58.64 -22.72 57.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -81.64 -43.03 19.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.252 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.48 -28.07 63.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -90.0 2.5 55.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.257 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt 49.06 52.51 14.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.552 HG21 HD22 ' A' ' 34' ' ' LEU . 47.6 mt -95.62 146.73 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.55 75.07 2.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 44.5 p90 -107.95 176.35 5.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -131.24 150.65 52.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -103.29 112.4 25.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 1.135 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' ILE . 13.9 mmmt -113.39 115.0 27.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 47' ' ' ALA . 24.9 t0 -89.82 124.08 34.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.617 HD12 ' NE ' ' A' ' 53' ' ' ARG . 11.0 pt -89.98 -37.07 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.518 ' HB1' ' HB3' ' A' ' 17' ' ' SER . . . -42.86 -70.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.57 -78.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -61.05 95.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 53' ' ' ARG . 10.6 pt-20 -66.65 -53.02 38.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 15.7 pt-20 -38.34 -41.27 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -57.44 -51.22 70.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.617 ' NE ' HD12 ' A' ' 46' ' ' ILE . 20.8 ttt180 -63.12 -38.62 91.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -65.92 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.451 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 40.0 t90 -50.08 -58.01 6.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 107.986 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.578 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 3.6 ttp -51.07 -51.52 52.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.647 ' CZ ' ' CG ' ' A' ' 70' ' ' TYR . 36.4 mtt180 -47.99 -35.75 11.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.21 -49.1 24.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 31.6 m-80 -54.55 -51.69 64.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.888 HG11 ' HG3' ' A' ' 71' ' ' PRO . 44.8 t -38.83 128.82 1.17 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 151.99 40.46 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.512 1.796 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -64.96 -33.74 76.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.345 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -71.32 -7.17 45.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.8 m -116.31 -8.83 11.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -76.38 153.15 83.94 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 167.28 27.4 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.48 1.779 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -40.24 -52.3 2.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.2 t -149.67 149.3 30.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.387 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.83 -165.51 32.05 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.647 ' CG ' ' CZ ' ' A' ' 57' ' ' ARG . 67.7 m-85 -86.48 162.42 45.46 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.451 0.736 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.888 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.02 119.33 5.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.8 mt -73.39 149.03 88.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.519 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -74.95 168.18 25.41 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.519 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.02 167.72 79.6 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.988 0.003 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.438 ' HG2' ' HA ' ' A' ' 73' ' ' PRO . 59.3 mm-40 -138.31 110.8 7.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.343 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.472 HG21 HD23 ' A' ' 102' ' ' LEU . 3.0 mp -77.88 133.6 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.518 ' CE1' ' HG3' ' A' ' 56' ' ' MET . 5.0 m-85 -142.09 129.6 21.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 80' ' ' SER . 1.4 t30 -90.25 99.51 12.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.4 ' OE2' ' ND2' ' A' ' 78' ' ' ASN . 20.6 mt-10 58.37 -82.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -127.57 0.32 6.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -105.17 168.17 9.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.522 ' CD1' ' N ' ' A' ' 83' ' ' ARG . 11.7 t80 -107.39 156.98 18.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.522 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 30.6 mmm180 -128.06 -61.84 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.335 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.483 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 176.27 -174.89 47.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -105.78 -172.71 2.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 0.0 109.349 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.2 t80 -50.46 -33.73 22.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.057 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.87 -56.59 17.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.39 -31.49 71.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.473 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 28.3 t80 -66.67 -43.03 85.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -69.99 -46.74 64.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -58.11 -49.54 76.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.13 -26.22 66.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.637 ' HA ' HG23 ' A' ' 98' ' ' VAL . 19.4 ttp180 -72.98 -56.22 5.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -57.13 -33.35 67.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -85.96 9.19 17.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 42.51 57.63 3.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -147.57 21.4 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.637 HG23 ' HA ' ' A' ' 93' ' ' ARG . 1.6 t -51.01 -57.47 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -43.36 -41.7 4.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.443 ' O ' ' NH2' ' A' ' 83' ' ' ARG . . . -68.0 -38.97 83.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.473 ' CE2' ' HA ' ' A' ' 89' ' ' PHE . 11.3 t80 -71.39 -9.56 58.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.496 ' O ' HD11 ' A' ' 10' ' ' ILE . 34.1 mt -112.29 -0.03 15.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.432 ' O ' ' CE ' ' A' ' 8' ' ' MET . . . 67.34 23.75 73.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.586 HD21 HG12 ' A' ' 10' ' ' ILE . 20.4 mt -96.16 -176.51 3.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.743 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 52.0 m -113.93 142.29 46.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -101.36 150.64 37.37 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.1 Cg_endo -75.06 151.62 39.48 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.534 1.807 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.1 Cg_endo -74.98 114.8 4.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 116.99 -8.93 16.04 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.15 167.05 20.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 0.744 . . . . 0.0 109.976 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 115' ' ' VAL . 0.2 OUTLIER -62.0 -37.74 86.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -61.14 -27.52 68.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -89.02 -45.8 9.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 115' ' ' VAL . 70.0 mm-40 -58.9 -68.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 111' ' ' LYS . 48.9 t 40.56 89.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.9 t -152.75 -64.67 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -38.25 146.55 0.13 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.536 1.148 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 120.08 5.9 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.496 1.788 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.34 81.69 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.35 151.13 4.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.033 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.147 . . . . 0.0 111.028 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 m 63.61 141.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 0.754 . . . . 0.0 109.983 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.0 t -104.78 162.59 13.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.13 177.95 15.7 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.474 1.109 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 m 61.96 112.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.958 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 p -63.34 133.79 54.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.042 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.83 -94.28 0.1 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.464 ' CE ' ' HA3' ' A' ' 103' ' ' GLY . 12.9 mtp 57.5 90.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 111.053 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.456 HG11 ' HE ' ' A' ' 11' ' ' ARG . 1.3 t -72.75 140.78 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.587 HG13 HD11 ' A' ' 104' ' ' LEU . 9.3 mm -106.49 104.63 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.456 ' HE ' HG11 ' A' ' 9' ' ' VAL . 20.0 mtt180 -101.0 128.94 46.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.6 t -114.07 136.85 49.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 23.8 m-85 -104.35 96.37 6.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 44' ' ' LYS . 2.3 pt -104.92 -179.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' SER . . . -128.62 70.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' ALA . 12.5 t -36.28 -45.03 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.974 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.78 48.26 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.6 OUTLIER -87.78 176.7 7.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.19 -56.69 0.21 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.36 118.35 5.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 110.03 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -53.98 -44.03 70.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.41 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.9 -56.6 3.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mt -53.58 -59.3 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -41.07 -52.61 3.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -61.0 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -41.09 -58.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.422 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 30.3 mt-30 -51.46 -46.44 63.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -65.28 -24.23 67.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.323 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -74.79 -31.3 61.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.409 HG22 ' CD2' ' A' ' 89' ' ' PHE . 78.0 t -81.62 -30.14 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.1 mt -80.36 -54.13 5.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.82 -44.45 24.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.585 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 67.0 t80 -60.82 -59.18 5.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.589 HD22 HG21 ' A' ' 39' ' ' ILE . 60.9 mt -55.77 -22.23 23.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -83.79 -47.35 11.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.96 -27.79 68.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -90.32 -0.7 57.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mttt 52.29 46.57 26.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.589 HG21 HD22 ' A' ' 34' ' ' LEU . 27.0 mt -88.86 149.17 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.235 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.23 78.22 1.96 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 50.0 p90 -109.83 176.26 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 10' ' ' ILE . 2.9 mm-40 -131.69 150.32 52.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -104.21 112.15 25.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' ILE . 11.8 mmmt -113.09 117.55 32.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 24.7 t0 -90.91 126.01 35.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.497 HD12 ' HG3' ' A' ' 53' ' ' ARG . 19.4 pt -94.28 -17.66 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.49 -66.51 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.455 ' HB3' ' OD2' ' A' ' 45' ' ' ASP . . . -84.84 54.8 3.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 48' ' ' ALA . 3.0 m-20 160.35 100.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 53' ' ' ARG . 1.5 pm0 -73.81 -40.91 63.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -39.2 -42.93 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 56' ' ' MET . 19.8 m-20 -70.33 -44.91 67.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.497 ' HG3' HD12 ' A' ' 46' ' ' ILE . 4.2 ttp180 -65.14 -45.64 84.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.17 . . . . 0.0 110.337 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 1.2 ttmm -60.96 -66.35 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.42 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 48.2 t90 -47.41 -59.95 2.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.574 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 7.0 ttp -45.8 -47.53 15.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.642 ' NE ' ' CE1' ' A' ' 70' ' ' TYR . 12.2 mtp180 -58.48 -36.38 73.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.18 -26.61 61.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -82.06 -53.04 6.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.806 HG11 ' HG3' ' A' ' 71' ' ' PRO . 51.3 t -40.87 128.0 1.95 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 152.7 41.27 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.558 1.82 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -64.1 -30.36 71.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.243 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.03 -13.06 61.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.461 ' OG ' ' CZ ' ' A' ' 82' ' ' TYR . 3.7 m -105.75 -25.33 12.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -60.41 153.94 56.86 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' ALA . 18.2 Cg_endo -75.04 169.3 22.91 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.553 1.817 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' PRO . . . -40.34 -44.42 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.1 t -158.54 142.8 15.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 110.42 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.68 -170.13 26.4 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.642 ' CE1' ' NE ' ' A' ' 57' ' ' ARG . 70.8 m-85 -81.35 161.05 63.6 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.806 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.98 114.58 4.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.543 1.812 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.6 mt -72.37 149.96 91.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.51 ' HA ' ' C ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.04 167.35 27.21 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -75.02 168.78 76.42 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.989 -2.504 . . . . 0.0 111.019 0.031 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.43 ' HG2' ' HA ' ' A' ' 73' ' ' PRO . 63.0 mm-40 -139.45 111.31 7.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.631 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.8 mp -78.0 129.95 36.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.571 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 1.1 m-85 -138.65 129.74 26.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 80' ' ' SER . 3.3 t30 -94.44 98.68 11.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.466 ' OE1' ' ND2' ' A' ' 78' ' ' ASN . 17.6 mt-10 58.24 -81.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -130.8 5.43 4.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.046 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.9 165.17 11.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.48 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 3.1 t80 -110.67 148.49 32.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.42 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 27.7 mmm180 -120.13 -59.2 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.417 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 177.82 -174.32 46.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.133 . . . . 0.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -108.68 -174.98 2.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.442 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 1.1 t80 -45.66 -34.93 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.1 -56.76 15.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.31 -32.33 72.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.506 ' HB2' HD11 ' A' ' 76' ' ' ILE . 8.8 t80 -64.15 -40.36 95.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -73.29 -49.93 24.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -54.49 -55.33 30.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.42 -27.0 33.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.638 ' HA ' HG23 ' A' ' 98' ' ' VAL . 35.0 ttp180 -77.38 -43.11 33.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.256 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.47 -37.02 82.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.239 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -86.43 10.92 13.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.1 m120 44.36 58.75 3.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -150.3 27.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.638 HG23 ' HA ' ' A' ' 93' ' ' ARG . 1.4 t -55.51 -61.24 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.553 ' CE2' ' HD3' ' A' ' 107' ' ' PRO . 27.5 m-85 -41.85 -42.84 2.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.84 -41.95 91.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 98' ' ' VAL . 18.3 t80 -67.94 -11.28 58.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.631 ' CD2' HG21 ' A' ' 76' ' ' ILE . 31.3 mt -112.27 1.15 15.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.464 ' HA3' ' CE ' ' A' ' 8' ' ' MET . . . 69.49 14.18 69.09 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.452 1.095 . . . . 0.0 110.963 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.587 HD11 HG13 ' A' ' 10' ' ' ILE . 19.0 mt -89.68 -174.94 4.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 86.7 m -112.6 146.43 38.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.374 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.67 148.75 44.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.553 ' HD3' ' CE2' ' A' ' 99' ' ' TYR . 18.3 Cg_endo -75.0 146.15 32.29 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.3 Cg_endo -74.97 76.86 3.26 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 141.88 49.69 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.426 ' H ' ' HB3' ' A' ' 113' ' ' ALA . 0.6 OUTLIER -149.5 164.31 35.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 110.002 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 115' ' ' VAL . 0.0 OUTLIER -40.34 -59.15 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.531 ' O ' HG22 ' A' ' 115' ' ' VAL . 1.7 mt-10 -42.71 -51.11 5.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.426 ' HB3' ' H ' ' A' ' 110' ' ' SER . . . -67.16 -42.44 84.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.162 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 115' ' ' VAL . 3.9 mt-10 -60.22 -65.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 112' ' ' GLU . 25.1 m -39.09 132.59 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.9 t -179.33 101.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 143.43 -146.93 18.06 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 129.94 12.84 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.462 1.77 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 84.8 p -149.12 153.02 37.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 65.3 p -154.4 159.25 41.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.935 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.491 1.119 . . . . 0.0 111.057 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -92.8 159.08 15.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.012 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.3 p -171.5 155.01 3.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.68 -151.79 8.73 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t -169.88 153.36 4.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 0.74 . . . . 0.0 110.028 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 m -145.15 113.08 6.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.79 -130.45 2.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 111.042 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.8 mtm 54.99 84.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.787 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 t -80.85 136.16 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.687 HG12 HD21 ' A' ' 104' ' ' LEU . 8.7 mm -100.81 105.41 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 77' ' ' PHE . 40.4 mtt180 -101.28 126.73 48.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.7 t -113.12 133.79 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.424 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 23.4 m-85 -101.9 98.74 8.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.1 pt -105.11 166.09 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -113.14 63.65 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 17' ' ' SER . 41.1 t -38.9 123.57 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.2 OUTLIER 84.58 35.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.004 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 t -76.74 141.45 40.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.964 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.65 60.24 4.84 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 m -174.2 97.97 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.585 0.815 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.0 m -42.26 -42.22 3.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.394 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.7 -52.6 17.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.411 HG22 ' NE2' ' A' ' 27' ' ' GLN . 4.0 mt -60.67 -59.54 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -40.07 -57.29 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -57.8 -61.73 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -41.07 -58.67 1.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.411 ' NE2' HG22 ' A' ' 23' ' ' ILE . 31.2 mt-30 -52.18 -52.42 52.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -61.61 -20.59 63.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 25' ' ' LYS . 8.3 t70 -78.12 -33.59 50.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.455 HG22 ' CD2' ' A' ' 89' ' ' PHE . 75.0 t -81.33 -32.92 12.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.68 -53.13 7.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.97 -38.1 30.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.557 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 50.5 t80 -64.09 -52.48 59.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.604 HD22 HG21 ' A' ' 39' ' ' ILE . 35.0 mt -63.6 -17.65 63.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -87.65 -43.01 12.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.9 -31.0 65.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -88.39 2.28 52.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt 49.05 54.76 10.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.604 HG21 HD22 ' A' ' 34' ' ' LEU . 51.0 mt -96.26 149.74 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.93 74.59 2.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 37.9 p90 -108.12 176.17 5.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 0.718 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.6 mm-40 -131.18 150.45 52.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -105.29 110.26 22.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 14' ' ' ILE . 10.9 mmmt -109.99 117.83 34.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.67 130.56 34.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.576 HD12 ' CD ' ' A' ' 53' ' ' ARG . 9.0 pt -104.1 -18.04 6.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.63 -70.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.95 -78.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -52.96 117.33 2.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.93 -51.36 8.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 52' ' ' ASN . 11.7 pt-20 -40.64 -51.32 3.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 9.6 m-20 -54.11 -54.12 43.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.576 ' CD ' HD12 ' A' ' 46' ' ' ILE . 34.4 ttt180 -59.27 -54.39 47.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.17 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 55' ' ' TRP . 4.4 tttp -55.19 -65.31 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.753 ' CZ2' ' ND2' ' A' ' 59' ' ' ASN . 89.0 t90 -41.44 -55.11 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.569 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 1.7 ttp -53.41 -43.77 68.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.454 ' O ' ' NH2' ' A' ' 65' ' ' ARG . 16.4 mtp180 -62.27 -21.19 65.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.275 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -95.41 -19.3 20.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 110.271 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.753 ' ND2' ' CZ2' ' A' ' 55' ' ' TRP . 3.2 m120 -84.43 -51.14 7.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.722 HG11 ' HG3' ' A' ' 71' ' ' PRO . 40.6 t -39.82 132.87 1.42 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 60' ' ' VAL . 18.5 Cg_endo -74.95 150.34 38.26 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -66.07 -17.21 64.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.167 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -85.36 -8.61 58.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.456 ' HG ' ' HE1' ' A' ' 82' ' ' TYR . 8.7 m -117.33 -8.67 11.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.037 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.455 ' HG3' HG12 ' A' ' 60' ' ' VAL . 21.3 mtt180 -72.2 146.63 89.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -173.23 1.5 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.497 1.788 . . . . 0.0 111.034 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.2 82.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.8 t -176.76 137.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 70' ' ' TYR . . . 114.59 32.34 1.95 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.447 ' CD1' ' HG2' ' A' ' 57' ' ' ARG . 35.5 m-85 54.97 164.61 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.722 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.5 Cg_endo -74.97 131.8 14.74 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.782 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.718 ' O ' HD12 ' A' ' 72' ' ' LEU . 1.1 pp -92.22 155.2 42.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.238 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.511 ' HA ' ' C ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.0 166.85 28.34 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.771 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.01 160.83 95.98 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.959 -2.517 . . . . 0.0 111.003 0.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -133.91 117.81 17.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.553 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.8 mp -92.02 141.21 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.569 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 16.0 m-85 -145.92 128.76 16.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.516 ' O ' ' N ' ' A' ' 80' ' ' SER . 20.3 t-20 -83.51 96.38 8.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 65.93 -61.18 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -144.53 -39.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.003 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.83 162.11 24.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.532 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 14.6 t80 -101.0 140.95 34.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -110.07 -56.7 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.404 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 176.55 -172.18 45.15 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -117.41 -173.02 2.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.75 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.0 OUTLIER -45.56 -35.09 3.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.949 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.27 -54.77 39.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.85 82.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.455 ' CD2' HG22 ' A' ' 30' ' ' VAL . 34.9 t80 -59.15 -47.77 84.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -64.67 -51.95 59.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.048 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -53.42 -57.14 11.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.479 ' HB1' ' HA ' ' A' ' 98' ' ' VAL . . . -52.58 -27.2 15.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.441 ' N ' HG23 ' A' ' 98' ' ' VAL . 7.6 ttp180 -75.29 -51.89 12.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -51.88 -40.11 60.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -87.74 12.79 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.415 ' HB2' HG11 ' A' ' 115' ' ' VAL . 19.6 m-80 40.66 54.52 3.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -138.37 15.27 2.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.557 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -45.44 -54.61 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.469 ' N ' HG12 ' A' ' 98' ' ' VAL . 11.0 m-85 -45.26 -46.73 12.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.12 96.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -69.97 -10.89 60.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.553 ' CD2' HG21 ' A' ' 76' ' ' ILE . 29.0 mt -112.47 1.74 16.05 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 67.99 15.79 67.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.107 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.687 HD21 HG12 ' A' ' 10' ' ' ILE . 19.4 mt -90.05 -175.74 4.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.75 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 86.9 m -115.43 143.79 44.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -91.63 150.49 41.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -74.93 146.5 33.04 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.478 1.778 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.2 Cg_endo -75.03 76.92 3.27 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 110.993 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 142.6 49.64 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -149.52 162.52 39.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.757 . . . . 0.0 110.003 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.767 ' O ' HG13 ' A' ' 115' ' ' VAL . 0.6 OUTLIER -45.57 -46.37 14.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.461 ' OE2' ' CD2' ' A' ' 99' ' ' TYR . 1.4 mp0 -53.59 -35.94 61.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 110' ' ' SER . . . -84.44 -35.75 22.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.17 -58.8 4.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.767 HG13 ' O ' ' A' ' 111' ' ' LYS . 8.2 m -44.69 -28.92 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.2 m -77.69 -65.25 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.021 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -145.16 156.71 27.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.128 . . . . 0.0 111.013 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -48.16 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 111.059 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 42.2 m -90.98 -71.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.57 162.2 26.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 -179.971 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -95.59 167.06 11.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 109.988 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 m -163.29 101.72 0.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.001 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.91 -128.18 5.8 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 p -126.63 147.4 49.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.776 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.12 139.45 47.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.27 150.45 8.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -164.47 85.48 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 t -88.62 145.73 7.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.44 1.088 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.643 HG12 HD21 ' A' ' 104' ' ' LEU . 14.5 mm -115.09 105.77 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 -100.91 126.31 47.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.469 HG12 HG23 ' A' ' 14' ' ' ILE . 61.4 t -109.59 132.28 58.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.584 ' HD2' HG22 ' A' ' 46' ' ' ILE . 27.9 m-85 -100.75 96.61 7.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.469 HG23 HG12 ' A' ' 12' ' ' VAL . 2.3 pt -104.96 -177.65 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.464 ' HB3' ' OG ' ' A' ' 18' ' ' SER . . . -128.98 68.61 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' ALA . 15.5 t -36.7 -44.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.431 ' HB3' ' HB1' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -87.2 48.88 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.979 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.464 ' OG ' ' HB3' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -92.09 178.5 5.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.51 -50.48 0.17 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -57.99 109.71 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 0.79 . . . . 0.0 109.985 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 m -48.06 -45.08 31.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.41 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.95 -56.7 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.6 mt -50.23 -60.64 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ILE . 37.7 mtmt -39.56 -60.64 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.08 -61.16 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -43.02 -58.28 2.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.439 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 30.8 mt-30 -52.13 -49.52 63.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -63.11 -21.96 66.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -76.96 -34.02 57.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.432 HG21 ' HG2' ' A' ' 74' ' ' PRO . 54.4 t -81.63 -33.42 12.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.02 -53.52 6.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -51.36 -39.31 43.52 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.666 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 30.7 t80 -63.44 -53.86 45.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.606 HD22 HG21 ' A' ' 39' ' ' ILE . 34.7 mt -60.52 -21.39 62.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -83.34 -43.95 15.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.14 -28.19 65.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -90.09 3.68 52.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt 47.68 51.28 14.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.606 HG21 HD22 ' A' ' 34' ' ' LEU . 38.8 mt -92.62 150.0 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.45 71.25 2.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 32.0 p90 -105.91 176.34 5.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 0.775 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.5 mm-40 -132.0 151.42 51.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -103.91 111.95 24.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 14' ' ' ILE . 14.6 mmmt -112.29 116.79 30.96 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.508 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 12.5 t70 -90.9 120.03 31.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.584 HG22 ' HD2' ' A' ' 13' ' ' TYR . 11.8 pt -89.06 -28.17 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.431 ' HB1' ' HB3' ' A' ' 17' ' ' SER . . . -55.44 -66.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.508 ' HB3' ' OD2' ' A' ' 45' ' ' ASP . . . -93.08 57.07 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.355 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 50' ' ' GLU . 8.2 t-20 174.52 56.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 49' ' ' ASN . 2.0 mt-10 -37.91 -48.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.267 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 18.0 pt-20 -42.89 -52.47 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.448 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -53.04 -46.09 68.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.57 ' CD ' HD12 ' A' ' 46' ' ' ILE . 29.5 ttt180 -67.86 -41.26 83.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.76 -62.04 2.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.448 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 31.6 t90 -54.46 -61.59 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 108.015 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.568 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 3.2 ttp -45.28 -50.59 11.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 111.041 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.651 ' NE ' ' CD1' ' A' ' 70' ' ' TYR . 36.6 mtt180 -49.6 -46.85 49.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.38 -48.29 82.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.354 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 33.8 m-80 -58.3 -58.46 8.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.738 HG11 ' HG3' ' A' ' 71' ' ' PRO . 55.0 t -38.37 122.59 1.1 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 150.22 38.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.475 1.776 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -58.18 -41.4 83.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -60.02 -22.25 62.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.493 ' OG ' ' CE1' ' A' ' 82' ' ' TYR . 1.4 m -97.34 -25.73 15.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -55.55 158.88 5.4 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.415 ' C ' ' N ' ' A' ' 68' ' ' THR . 18.2 Cg_endo -75.05 164.29 33.54 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.461 1.769 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -42.09 -28.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.415 ' N ' ' C ' ' A' ' 66' ' ' PRO . 9.0 t -172.52 141.0 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.6 176.38 45.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.651 ' CD1' ' NE ' ' A' ' 57' ' ' ARG . 82.4 m-85 -61.88 162.03 19.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.738 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.99 115.91 4.43 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 72' ' ' LEU . 30.6 mt -77.32 150.3 79.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.513 ' HA ' ' C ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -74.95 167.33 27.31 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.455 1.766 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.0 155.62 99.97 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.989 0.029 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -128.27 110.51 12.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.544 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -78.79 135.5 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.558 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 1.3 m-85 -145.33 129.86 17.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 80' ' ' SER . 23.0 t-20 -94.02 98.66 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 58.82 -81.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.251 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -131.32 5.12 4.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.028 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.63 164.45 12.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.493 ' CE1' ' OG ' ' A' ' 64' ' ' SER . 39.7 t80 -109.36 145.03 36.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -115.61 -52.82 2.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.475 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 169.63 -166.34 39.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -117.72 -178.36 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.1 t80 -42.41 -34.93 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -61.06 -55.76 28.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.35 -36.15 81.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.441 ' HB2' HD11 ' A' ' 76' ' ' ILE . 21.9 t80 -58.84 -48.51 81.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -64.19 -51.82 61.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -53.75 -51.39 63.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.26 -23.27 63.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.445 ' CA ' HG23 ' A' ' 98' ' ' VAL . 23.5 ttp85 -79.14 -56.5 4.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.445 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 1.6 mm-40 -54.44 -35.39 62.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -87.51 12.52 12.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 40.14 63.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.72 23.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.163 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.666 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 1.2 t -56.05 -58.88 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.444 ' N ' HG12 ' A' ' 98' ' ' VAL . 18.8 m-85 -43.16 -45.41 5.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.31 -37.0 82.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 98' ' ' VAL . 14.6 t80 -72.85 -12.0 60.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.552 1.158 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.544 ' CD2' HG21 ' A' ' 76' ' ' ILE . 45.5 mt -110.89 1.67 17.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 66.22 19.8 68.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.643 HD21 HG12 ' A' ' 10' ' ' ILE . 22.8 mt -91.81 -174.82 3.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 0.78 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 54.0 m -110.74 147.6 34.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.404 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.71 150.81 38.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.0 150.43 38.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.3 Cg_endo -75.03 111.01 3.22 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.515 1.797 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 120.58 -21.08 8.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.445 1.091 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.516 ' O ' ' HB3' ' A' ' 113' ' ' ALA . 0.6 OUTLIER -74.43 159.41 32.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.773 . . . . 0.0 109.98 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.461 ' HA ' ' CG ' ' A' ' 114' ' ' GLU . 8.0 tptt -45.22 -59.32 2.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.95 -23.81 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 110' ' ' SER . . . -91.39 -48.76 6.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 115' ' ' VAL . 0.1 OUTLIER -65.44 -36.24 83.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.47 ' N ' ' HG3' ' A' ' 114' ' ' GLU . 7.9 p -126.68 125.4 66.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.05 -58.08 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.961 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -38.89 99.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -42.28 0.53 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.512 1.796 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.3 p 48.49 -175.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.04 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -108.85 154.98 21.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.995 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.995 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.41 123.59 28.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 110.006 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 m -50.49 109.34 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.77 126.51 4.9 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.74 -58.41 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 110.006 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 m -120.95 146.79 46.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.012 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.62 150.17 5.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -165.46 85.37 0.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 0.755 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -86.15 138.08 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.577 HG12 HD21 ' A' ' 104' ' ' LEU . 9.6 mm -102.41 105.13 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -101.13 123.41 45.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -108.18 128.5 63.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.442 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 10.5 m-85 -99.51 100.02 10.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.0 pt -105.2 174.52 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -119.53 63.82 0.8 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 17' ' ' SER . 31.4 t -38.32 127.53 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.3 OUTLIER 85.73 34.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.977 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.81 111.5 18.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.15 -48.54 10.19 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.5 m -61.72 97.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 109.986 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.2 m -49.06 -36.4 18.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.416 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.95 -44.63 40.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.418 HG22 ' NE2' ' A' ' 27' ' ' GLN . 4.1 mt -63.79 -57.89 9.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -40.05 -51.52 2.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' ASP . 1.9 ttmt -59.09 -64.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.2 mttp -41.05 -58.37 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.418 ' NE2' HG22 ' A' ' 23' ' ' ILE . 30.0 mt-30 -52.62 -49.4 65.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -63.09 -25.64 68.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 25' ' ' LYS . 3.8 t70 -73.37 -32.59 64.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.413 HG21 ' HG2' ' A' ' 74' ' ' PRO . 94.5 t -80.47 -32.15 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.3 mt -78.54 -54.38 6.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.43 -40.76 39.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.438 1.087 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.498 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 50.3 t80 -63.89 -50.82 67.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.631 HD22 HG21 ' A' ' 39' ' ' ILE . 51.8 mt -65.22 -23.16 67.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.117 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -82.29 -44.91 15.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.1 -32.87 74.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -87.67 3.66 47.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt 47.58 53.47 11.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.631 HG21 HD22 ' A' ' 34' ' ' LEU . 36.4 mt -92.86 149.84 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.82 71.06 2.82 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.14 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 45.0 p90 -103.72 176.34 5.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.1 mm-40 -131.15 150.96 51.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -106.06 116.44 31.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' ILE . 11.9 mmmt -116.96 117.83 30.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -87.91 137.32 32.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 14' ' ' ILE . 13.4 pt -112.65 -9.07 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.78 -53.35 18.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.94 -72.54 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.31 121.71 12.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.7 -51.8 6.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 15.0 pt-20 -39.81 -47.49 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.474 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 9.0 m-20 -55.66 -56.6 18.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.449 ' HG3' HD12 ' A' ' 46' ' ' ILE . 28.7 ttt180 -57.6 -53.66 55.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -55.43 -64.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.457 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 60.3 t90 -44.96 -62.34 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 108.005 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.572 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 9.2 ttp -42.96 -54.25 4.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.561 ' CZ ' ' CD2' ' A' ' 70' ' ' TYR . 28.6 mtt180 -48.41 -47.0 38.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.46 -37.3 77.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 25.6 m-80 -69.89 -54.48 13.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.864 HG11 ' HG3' ' A' ' 71' ' ' PRO . 67.2 t -38.84 127.86 1.18 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.73 42.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.93 -42.92 99.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 110.339 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -60.82 -15.54 31.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 m -104.53 -26.17 12.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -64.68 145.1 98.81 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -168.2 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.452 1.764 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.423 ' O ' ' HB ' ' A' ' 68' ' ' THR . . . -61.0 -46.64 89.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 67' ' ' ALA . 1.3 t 179.65 137.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.52 32.1 2.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.561 ' CD2' ' CZ ' ' A' ' 57' ' ' ARG . 70.2 m-85 56.04 162.59 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.864 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.01 133.82 17.05 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.494 1.786 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.779 ' O ' HD12 ' A' ' 72' ' ' LEU . 1.1 pp -86.56 152.59 54.82 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.505 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.02 167.23 27.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.466 1.771 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.505 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.03 161.84 94.04 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.971 0.034 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -129.06 110.21 11.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.414 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -83.9 139.29 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.572 ' CE1' ' HG3' ' A' ' 56' ' ' MET . 12.0 m-85 -148.16 129.17 14.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 80' ' ' SER . 24.1 t-20 -86.49 96.55 10.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 66.83 -60.3 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.266 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -147.94 -37.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.22 166.47 11.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.551 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 17.9 t80 -103.6 137.84 41.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -108.6 -52.03 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.551 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 169.11 -170.81 42.73 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.7 p-10 -113.24 -174.3 2.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 0.799 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.522 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -49.17 -34.27 14.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.95 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.53 -57.67 10.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.0 -32.01 71.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -65.16 -45.04 86.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -67.26 -50.54 60.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -52.73 -55.16 24.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.65 -25.48 39.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.674 ' HA ' HG23 ' A' ' 98' ' ' VAL . 23.0 ttp85 -76.73 -41.7 44.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -66.37 -35.22 79.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -86.24 9.9 16.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 15.5 m120 45.18 59.65 3.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -152.08 26.72 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.674 HG23 ' HA ' ' A' ' 93' ' ' ARG . 1.4 t -54.36 -57.19 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -42.27 -42.57 3.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.45 -41.27 93.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 98' ' ' VAL . 24.6 t80 -69.81 -8.66 50.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.476 ' O ' HD11 ' A' ' 10' ' ' ILE . 22.4 mt -115.42 0.5 13.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 65.87 24.86 71.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.577 HD21 HG12 ' A' ' 10' ' ' ILE . 22.5 mt -98.43 -177.69 3.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.5 m -108.65 150.19 27.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.401 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -109.23 147.31 35.71 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 150.96 38.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.512 1.796 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 105.59 2.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 128.67 -14.9 6.03 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.64 174.71 7.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -33.36 71.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.579 ' O ' HG23 ' A' ' 115' ' ' VAL . 5.3 mp0 -62.56 -40.56 97.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.7 -36.89 36.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 116' ' ' SER . 1.3 mt-10 -69.69 -63.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 112' ' ' GLU . 67.8 t 61.9 -82.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 114' ' ' GLU . 85.2 p -63.29 81.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.03 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 115' ' ' VAL . . . -114.19 -124.78 4.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.115 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 68.03 5.84 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.501 1.79 . . . . 0.0 111.018 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 21.8 p -156.78 149.39 23.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.961 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.31 118.17 15.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.058 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 111.021 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.3 t -71.49 86.66 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 0.793 . . . . 0.0 109.993 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.31 170.06 11.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.57 64.77 0.37 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.143 . . . . 0.0 111.022 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 t -171.34 84.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 110.024 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.82 157.16 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.075 . . . . 0.0 110.003 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.31 175.08 25.11 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 mtp 38.97 85.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 t -90.32 132.34 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.595 HG12 HD21 ' A' ' 104' ' ' LEU . 7.2 mm -97.6 104.43 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -100.77 125.65 47.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.1 t -110.2 138.22 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.356 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.512 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 24.6 m-85 -106.22 94.52 5.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 46' ' ' ILE . 1.9 pt -104.77 -177.75 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' A' ' 47' ' ' ALA . . . -132.74 74.06 1.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.506 ' C ' ' O ' ' A' ' 15' ' ' ALA . 2.7 t -31.37 -76.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -41.45 -65.24 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.985 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 17' ' ' SER . 3.1 p 47.07 -174.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.044 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -144.95 15.73 1.95 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 m -146.15 140.4 26.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.964 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.7 m -71.46 -46.1 60.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.435 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.08 -49.81 2.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mt -62.13 -57.52 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -41.35 -45.71 3.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.26 -66.01 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -39.86 -56.86 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.448 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 28.9 mt-30 -53.13 -48.5 67.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -64.04 -19.91 65.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -78.83 -33.26 46.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.0 t -81.87 -33.75 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -77.37 -55.34 5.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.47 -39.91 37.97 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.514 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 50.4 t80 -62.22 -51.57 67.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.773 HD23 HD12 ' A' ' 39' ' ' ILE . 54.6 mt -63.03 -24.91 68.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -79.84 -41.48 26.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.93 -31.01 65.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -88.93 9.46 24.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt 42.27 51.31 4.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.773 HD12 HD23 ' A' ' 34' ' ' LEU . 96.7 mt -93.54 149.49 4.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.88 83.02 1.54 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 40.9 p90 -117.04 175.99 5.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 0.799 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.6 mt-10 -132.5 141.76 48.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -95.03 117.8 30.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 14' ' ' ILE . 14.0 mmmt -118.82 117.63 29.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -87.79 136.56 32.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.715 HD12 ' NE ' ' A' ' 53' ' ' ARG . 6.2 pt -107.71 -24.6 3.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.525 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -55.84 -57.87 10.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.22 -74.28 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -55.49 123.25 13.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.8 -55.1 4.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 52' ' ' ASN . 12.4 pt-20 -39.84 -52.54 2.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.423 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 8.6 m-20 -48.25 -55.47 10.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.715 ' NE ' HD12 ' A' ' 46' ' ' ILE . 40.8 ttt180 -60.6 -64.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 1.0 OUTLIER -42.02 -64.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.425 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 31.7 t90 -49.58 -61.73 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 107.984 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.591 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 15.0 ttp -38.17 -61.66 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.661 ' CD ' ' CD1' ' A' ' 70' ' ' TYR . 29.7 mtm180 -43.36 -52.26 5.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -52.31 -38.81 59.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 60' ' ' VAL . 15.7 m120 -70.57 -55.32 9.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.873 HG11 ' HG3' ' A' ' 71' ' ' PRO . 73.7 t -38.11 125.22 1.05 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.02 151.99 40.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -67.61 -19.81 65.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -81.53 -12.33 58.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.7 m -108.06 -22.79 12.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.9 mtt85 -54.03 154.91 6.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 177.76 8.13 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.425 1.75 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.22 -50.96 15.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.9 t -153.59 145.41 23.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.369 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.7 -168.5 31.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.661 ' CD1' ' CD ' ' A' ' 57' ' ' ARG . 87.7 m-85 -79.8 162.77 61.4 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.771 . . . . 0.0 111.033 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.873 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.01 115.2 4.21 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.519 1.8 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.746 ' O ' HD12 ' A' ' 72' ' ' LEU . 1.5 pp -75.22 152.19 85.99 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.522 ' HA ' ' C ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.02 165.74 30.66 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -75.0 168.45 77.4 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.987 -0.008 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -139.19 110.53 6.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.416 1.072 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.519 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.9 mp -76.78 128.79 37.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.591 ' CE1' ' HG3' ' A' ' 56' ' ' MET . 3.4 m-85 -138.17 129.81 28.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 80' ' ' SER . 11.0 t-20 -92.91 101.06 13.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 57.39 -83.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -126.73 -0.99 6.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -101.88 173.26 6.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 18.0 t80 -112.77 149.99 32.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.448 ' HB2' HG22 ' A' ' 76' ' ' ILE . 29.8 mmm180 -121.19 -53.95 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 167.07 -168.57 40.45 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -115.61 -177.17 3.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 0.749 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.421 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 0.9 OUTLIER -45.03 -34.12 2.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.974 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.43 -59.71 4.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.82 -26.28 65.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.443 ' HB2' HD11 ' A' ' 76' ' ' ILE . 18.8 t80 -72.29 -39.89 67.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -71.69 -41.87 68.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -63.07 -45.99 89.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.54 -24.32 67.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.476 ' HA ' HG23 ' A' ' 98' ' ' VAL . 0.7 OUTLIER -72.39 -55.92 6.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.435 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 1.9 mm-40 -55.41 -36.01 65.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -81.03 2.69 25.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 49.32 39.25 15.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -131.49 32.53 4.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.233 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.514 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -59.86 -52.41 61.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -47.96 -42.36 27.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.59 -37.83 85.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.175 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -71.8 -11.93 61.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.519 ' CD2' HG21 ' A' ' 76' ' ' ILE . 36.0 mt -110.68 1.64 18.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 67.1 21.03 71.51 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.595 HD21 HG12 ' A' ' 10' ' ' ILE . 23.4 mt -93.14 -174.14 3.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 33.4 m -111.46 149.99 30.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.372 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -104.37 147.56 34.56 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.0 146.53 32.75 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.527 1.804 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.1 Cg_endo -75.06 112.55 3.58 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.788 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 119.88 -31.93 5.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.77 165.94 3.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.988 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.898 ' O ' HG12 ' A' ' 115' ' ' VAL . 0.3 OUTLIER -58.4 -37.08 74.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -55.83 -39.04 70.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -81.02 -41.57 22.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -58.87 -64.88 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.898 HG12 ' O ' ' A' ' 111' ' ' LYS . 9.9 p -45.37 101.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.56 97.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.962 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -171.95 -151.23 7.67 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 95.66 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.473 1.775 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.8 t -164.23 125.32 2.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.5 t -86.72 76.96 9.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -160.69 123.9 3.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 p -150.37 170.3 19.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.026 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.32 171.73 44.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.125 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 p -154.4 154.16 32.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 0.0 109.974 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 p -131.26 174.12 10.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.48 128.01 3.81 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.443 1.089 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -167.98 83.71 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 0.804 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -82.49 144.61 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' GLU . 12.1 mm -108.15 107.73 23.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.465 ' CZ ' ' HE2' ' A' ' 44' ' ' LYS . 26.1 mtp180 -100.45 128.56 46.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.405 HG12 HG23 ' A' ' 14' ' ' ILE . 47.9 t -115.95 126.9 73.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.581 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 4.3 m-85 -100.0 99.36 10.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' LYS . 2.4 pt -105.08 177.28 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -124.19 67.28 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 15' ' ' ALA . 14.3 t -35.2 -35.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -102.41 64.65 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 t -101.0 -70.62 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.142 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.2 -36.06 4.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -71.05 105.06 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 110.005 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.4 m -42.24 -49.9 4.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.443 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.78 -60.59 1.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.6 mt -53.02 -60.81 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.367 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ILE . 33.2 mtmt -39.92 -50.34 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.3 OUTLIER -59.61 -65.23 0.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HG2' ' CE2' ' A' ' 86' ' ' TYR . 35.4 mttm -39.54 -55.98 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.414 ' HB3' HG21 ' A' ' 14' ' ' ILE . 27.7 mt-30 -54.2 -50.98 65.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -63.56 -21.52 66.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 25' ' ' LYS . 8.1 t0 -79.45 -34.26 41.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.516 HG21 ' HG2' ' A' ' 74' ' ' PRO . 95.3 t -79.55 -28.81 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.3 mt -82.47 -54.34 5.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.08 -39.17 26.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.614 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 35.7 t80 -64.0 -58.28 7.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.645 HD22 HG21 ' A' ' 39' ' ' ILE . 35.0 mt -56.18 -19.86 15.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -85.01 -47.18 10.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.96 -26.44 66.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -91.39 -0.86 57.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm 52.75 42.72 31.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.262 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.645 HG21 HD22 ' A' ' 34' ' ' LEU . 16.9 mt -83.57 151.34 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.4 72.97 2.29 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.548 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 38.7 p90 -106.28 175.77 5.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.4 mt-10 -134.24 139.06 45.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -93.74 114.27 26.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.465 ' HE2' ' CZ ' ' A' ' 11' ' ' ARG . 7.4 mmmt -115.24 125.45 53.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -94.75 129.78 41.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.594 HD12 ' CD ' ' A' ' 53' ' ' ARG . 13.3 pt -99.14 -13.5 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.402 ' HB1' ' CB ' ' A' ' 17' ' ' SER . . . -66.78 -70.52 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.82 -94.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -52.63 121.78 7.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -84.98 -38.45 19.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -40.83 -41.16 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 56' ' ' MET . 11.8 m-20 -67.0 -55.94 12.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.594 ' CD ' HD12 ' A' ' 46' ' ' ILE . 26.5 ttt180 -56.54 -52.14 65.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 1.5 tttp -52.99 -71.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.764 ' CZ2' ' ND2' ' A' ' 59' ' ' ASN . 87.3 t90 -43.45 -55.04 4.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 108.023 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.593 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 11.1 ttp -47.36 -49.22 24.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.697 ' CD ' ' CD1' ' A' ' 70' ' ' TYR . 45.7 mtm180 -57.1 -39.95 76.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.77 -14.51 60.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.764 ' ND2' ' CZ2' ' A' ' 55' ' ' TRP . 3.4 m120 -89.41 -56.16 3.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.721 HG11 ' HG3' ' A' ' 71' ' ' PRO . 54.6 t -41.54 127.55 2.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 151.27 39.41 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.429 1.752 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.41 -26.55 68.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -76.76 -7.89 56.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 m -113.07 -23.71 9.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.999 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -60.48 161.81 13.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.402 ' C ' ' N ' ' A' ' 68' ' ' THR . 18.3 Cg_endo -75.0 163.99 34.24 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.789 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -42.42 -29.59 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.402 ' N ' ' C ' ' A' ' 66' ' ' PRO . 9.7 t -168.04 145.7 4.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.41 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.11 -174.82 44.26 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.099 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.697 ' CD1' ' CD ' ' A' ' 57' ' ' ARG . 90.0 m-85 -76.29 162.29 71.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.721 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -75.01 122.06 6.97 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.514 1.797 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.7 mt -79.98 150.48 71.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.525 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.02 168.22 25.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.525 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.96 167.92 78.97 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.023 -0.052 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.51 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 67.3 mm-40 -137.73 110.44 7.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.484 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.8 mp -83.42 137.33 21.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.593 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 57.7 m-85 -143.5 128.66 18.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 80' ' ' SER . 29.0 t-20 -85.95 96.85 9.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 78' ' ' ASN . 39.1 mt-10 66.48 -59.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 78' ' ' ASN . 1.5 t -147.41 -41.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.85 169.17 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.522 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 1.7 t80 -107.2 139.38 41.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -109.39 -56.97 2.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.421 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 173.74 -177.14 46.18 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.9 p-10 -111.19 -178.57 3.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 0.745 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.43 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -40.82 -37.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 111.001 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -60.94 -54.81 40.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.81 -33.31 74.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -64.8 -39.37 93.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 111.039 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -72.16 -48.37 43.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -56.75 -48.46 77.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.51 -21.2 66.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.476 ' HA ' HG23 ' A' ' 98' ' ' VAL . 17.6 ttp180 -77.82 -56.26 4.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.423 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 1.9 mm-40 -53.68 -35.17 60.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -86.19 10.81 13.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 40.58 54.72 2.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -142.0 17.35 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.614 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -46.61 -54.03 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -46.08 -44.92 15.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.37 -37.39 86.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -73.11 -9.83 59.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.484 ' CD2' HG21 ' A' ' 76' ' ' ILE . 28.6 mt -113.0 -0.7 14.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.64 20.44 75.69 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.437 HD11 HG13 ' A' ' 10' ' ' ILE . 22.7 mt -94.8 -175.23 3.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 0.739 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 33.3 m -111.16 150.55 29.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -102.21 151.85 38.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.03 147.49 33.89 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.4 Cg_endo -74.97 107.35 2.46 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 108.92 49.72 0.77 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 113' ' ' ALA . 0.4 OUTLIER -151.62 157.86 42.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 0.792 . . . . 0.0 110.002 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.628 ' O ' HG12 ' A' ' 115' ' ' VAL . 0.1 OUTLIER -40.41 -58.3 1.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -42.58 -43.24 3.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 110' ' ' SER . . . -77.55 -38.3 48.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -62.56 -62.9 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.628 HG12 ' O ' ' A' ' 111' ' ' LYS . 13.1 p -69.51 66.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.1 t -174.63 148.95 1.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -170.79 -155.65 10.68 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.557 1.16 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 55.82 4.04 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.529 1.805 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 40.6 t -169.33 96.05 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 m -64.34 -60.21 3.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.98 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -57.25 119.49 6.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.956 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -152.58 114.3 4.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.44 148.07 23.05 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -166.74 90.75 0.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -144.13 155.76 44.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.984 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.23 -142.33 3.63 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.54 1.15 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.458 ' CE ' ' HA ' ' A' ' 104' ' ' LEU . 2.0 mtp 39.22 84.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.492 HG13 ' OE2' ' A' ' 42' ' ' GLU . 1.6 t -92.87 130.7 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.446 ' HA ' HD13 ' A' ' 10' ' ' ILE . 9.5 mm -98.15 105.72 17.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -101.1 124.33 46.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.345 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.9 t -109.49 137.26 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 14.7 m-85 -104.97 95.04 5.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 46' ' ' ILE . 1.9 pt -104.91 -178.93 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -130.04 73.44 1.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 15' ' ' ALA . 4.1 t -33.7 -46.1 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.015 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.68 ' HB3' ' HB1' ' A' ' 47' ' ' ALA . 5.0 t -68.33 -68.28 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.043 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 17' ' ' SER . 1.1 p 47.08 -174.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.034 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -150.46 20.72 1.05 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -147.82 137.96 22.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 22' ' ' ALA . 2.0 m -65.47 -48.82 71.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.397 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 21' ' ' THR . . . -39.65 -57.35 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.6 mt -53.98 -61.79 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 23' ' ' ILE . 36.1 mtmt -40.28 -53.24 2.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -55.61 -64.8 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 29' ' ' ASP . 39.8 mttm -40.82 -58.59 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.431 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 28.3 mt-30 -50.02 -39.5 41.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 25' ' ' LYS . 35.6 mt-30 -71.57 -21.73 61.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 26' ' ' LYS . 2.8 t0 -79.32 -32.31 43.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -81.35 -34.39 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.4 mt -77.47 -55.22 5.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.55 -40.55 32.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.521 ' CE2' HG11 ' A' ' 98' ' ' VAL . 62.7 t80 -63.18 -57.21 11.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.587 HD22 HG21 ' A' ' 39' ' ' ILE . 33.3 mt -57.47 -24.41 55.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -80.45 -44.66 18.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.49 -29.72 69.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -88.78 2.76 52.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 49.14 50.79 17.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.587 HG21 HD22 ' A' ' 34' ' ' LEU . 37.2 mt -92.2 145.86 7.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.76 75.6 2.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.516 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 52.5 p90 -106.97 175.81 5.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 111.024 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.492 ' OE2' HG13 ' A' ' 9' ' ' VAL . 1.3 mt-10 -130.3 138.74 50.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -92.24 114.99 27.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 14' ' ' ILE . 13.8 mmmt -115.01 115.18 26.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -89.53 127.74 35.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.631 HD11 ' HG3' ' A' ' 73' ' ' PRO . 9.2 pt -93.29 -32.83 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.68 ' HB1' ' HB3' ' A' ' 17' ' ' SER . . . -55.34 -61.4 2.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.8 50.47 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 172.28 92.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -66.89 -51.99 48.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.444 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 15.5 pt-20 -38.16 -51.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.444 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 7.6 m-20 -57.78 -55.75 30.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -56.62 -56.29 23.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 0.8 OUTLIER -48.34 -67.66 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.459 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 87.3 t90 -47.05 -57.37 5.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 107.987 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.574 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 11.7 ttp -44.96 -46.49 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.485 ' NE ' ' CG ' ' A' ' 70' ' ' TYR . 15.3 mtt180 -60.01 -41.44 92.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.29 -16.41 62.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.459 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 2.4 m-80 -91.68 -48.23 6.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.806 HG11 ' HG3' ' A' ' 71' ' ' PRO . 19.7 t -42.84 132.56 3.03 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.487 ' HD3' ' CG ' ' A' ' 82' ' ' TYR . 18.1 Cg_endo -75.04 150.84 38.55 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.789 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -63.47 -27.67 69.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -76.3 -5.92 49.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.2 m -115.42 -12.06 11.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.012 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -72.2 150.33 92.09 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -178.2 4.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.798 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -51.04 -51.13 56.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.258 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.1 t -151.13 151.52 32.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.14 -159.4 28.75 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.453 1.095 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.485 ' CG ' ' NE ' ' A' ' 57' ' ' ARG . 83.9 m-85 -92.99 161.68 30.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.76 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.806 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.0 119.66 5.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.788 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 47.4 mt -73.83 151.29 88.76 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.631 ' HG3' HD11 ' A' ' 46' ' ' ILE . 18.3 Cg_endo -75.0 167.46 26.99 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -75.03 173.41 58.05 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.002 0.025 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.426 ' HG2' ' HA ' ' A' ' 73' ' ' PRO . 53.0 mm-40 -143.78 110.43 5.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.251 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.515 HD11 ' HB2' ' A' ' 89' ' ' PHE . 2.8 mp -76.47 138.79 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.574 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 7.3 m-85 -149.03 129.48 13.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 81' ' ' GLN . 23.9 t-20 -90.12 99.2 12.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 59.77 -83.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -124.29 -10.01 7.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.996 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -96.09 161.3 14.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.28 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.508 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 2.2 t80 -102.45 150.87 22.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.48 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 30.7 mmm180 -119.51 -61.94 1.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.508 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 178.38 -171.73 44.09 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -111.09 -176.64 3.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 0.0 109.322 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.465 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 0.7 OUTLIER -47.09 -36.8 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -61.37 -52.92 62.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.5 -32.96 74.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.515 ' HB2' HD11 ' A' ' 76' ' ' ILE . 18.5 t80 -63.85 -38.99 93.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -72.7 -48.88 35.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -56.41 -54.82 41.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.91 -21.97 23.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.621 ' HA ' HG23 ' A' ' 98' ' ' VAL . 21.3 ttp180 -80.32 -45.87 17.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -58.25 -38.29 76.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.262 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -86.23 9.8 16.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 45.69 55.66 6.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -141.52 19.27 2.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.621 HG23 ' HA ' ' A' ' 93' ' ' ARG . 1.4 t -49.08 -53.76 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.563 ' CE1' ' HD3' ' A' ' 107' ' ' PRO . 46.5 m-85 -51.6 -41.44 61.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.52 -27.64 65.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -83.41 -9.1 59.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.414 ' O ' HD11 ' A' ' 10' ' ' ILE . 43.2 mt -105.63 -3.55 22.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.05 14.84 76.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.458 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 5.1 mt -90.29 -174.01 4.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 105' ' ' THR . 0.4 OUTLIER -126.93 12.09 7.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.395 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 66.32 149.44 0.12 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.563 ' HD3' ' CE1' ' A' ' 99' ' ' TYR . 18.3 Cg_endo -74.97 153.34 41.86 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.566 1.824 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.3 Cg_endo -74.97 55.19 3.85 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.461 1.769 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 171.48 39.33 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -133.66 159.94 39.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 0.0 109.995 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.844 ' O ' HG13 ' A' ' 115' ' ' VAL . 0.5 OUTLIER -47.6 -47.69 28.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.33 -28.08 26.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 110' ' ' SER . . . -92.91 -43.09 9.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -61.28 -46.25 91.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.328 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.844 HG13 ' O ' ' A' ' 111' ' ' LYS . 10.8 m -58.0 -160.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.5 t -47.48 -58.0 4.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 99.32 98.84 2.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -24.89 12.39 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.5 m -171.03 121.36 0.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.79 110.63 3.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.51 168.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.783 . . . . 0.0 109.967 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.73 154.31 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 110.03 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.37 84.36 0.82 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.97 169.46 6.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.759 . . . . 0.0 110.028 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -43.53 165.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.045 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.13 -139.28 9.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.552 1.157 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 103' ' ' GLY . 48.8 mtm 58.25 84.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 0.739 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.499 HG11 ' HE ' ' A' ' 11' ' ' ARG . 1.3 t -81.5 140.01 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.496 HG12 HD21 ' A' ' 104' ' ' LEU . 7.8 mm -103.64 104.91 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.499 ' HE ' HG11 ' A' ' 9' ' ' VAL . 24.6 mtt180 -101.46 135.1 43.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.67 136.96 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 19.9 m-85 -103.52 96.96 7.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 44' ' ' LYS . 1.9 pt -105.11 -179.62 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -128.32 70.56 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 15' ' ' ALA . 6.8 t -32.91 -41.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.976 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.466 ' HB2' ' HB1' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -71.7 -69.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.986 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 47.25 -173.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -144.86 15.97 1.97 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.86 163.58 31.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 0.781 . . . . 0.0 109.997 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.6 m -90.43 -40.62 11.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.39 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.18 -54.61 15.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.0 mt -51.88 -59.87 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -44.2 -40.1 4.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -69.66 -65.61 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -41.03 -57.09 2.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -51.51 -44.64 62.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 110.343 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -67.25 -26.09 66.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -73.64 -29.14 62.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.512 HG21 ' HG2' ' A' ' 74' ' ' PRO . 57.6 t -83.71 -31.03 7.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.1 mt -80.56 -54.04 6.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.85 -44.82 31.59 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.51 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 49.0 t80 -59.9 -55.93 27.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 0.799 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.666 HD22 HG21 ' A' ' 39' ' ' ILE . 67.2 mt -58.11 -22.38 50.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -83.35 -45.44 13.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.5 -27.53 67.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -94.18 5.73 50.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 45.88 52.63 9.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.352 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.666 HG21 HD22 ' A' ' 34' ' ' LEU . 36.5 mt -92.47 148.5 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.43 75.3 2.34 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 49.3 p90 -108.0 176.23 5.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 0.723 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 10' ' ' ILE . 2.8 mm-40 -132.15 150.56 52.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -104.86 110.58 23.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 14' ' ' ILE . 12.7 mmmt -110.94 117.55 33.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.496 ' OD1' ' HB3' ' A' ' 47' ' ' ALA . 0.5 OUTLIER -92.8 121.94 34.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.526 HD12 ' HG3' ' A' ' 53' ' ' ARG . 15.2 pt -87.13 -28.89 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.496 ' HB3' ' OD1' ' A' ' 45' ' ' ASP . . . -51.8 -73.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.47 ' N ' ' OD2' ' A' ' 45' ' ' ASP . . . -84.26 50.15 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -179.91 91.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.29 -53.72 27.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 11.2 pt-20 -38.03 -52.31 1.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.449 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 9.1 m-20 -55.68 -54.38 44.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.526 ' HG3' HD12 ' A' ' 46' ' ' ILE . 37.9 ttt180 -58.33 -54.69 44.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.306 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.452 ' HA ' ' CZ ' ' A' ' 57' ' ' ARG . 4.4 tttt -53.01 -66.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.427 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 90.0 t90 -46.52 -60.01 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 108.028 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.581 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 11.5 ttp -44.43 -49.24 9.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.588 ' NE ' ' CE1' ' A' ' 70' ' ' TYR . 11.3 mtp180 -56.39 -42.6 78.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.15 -22.15 65.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.256 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 3.3 m-80 -85.0 -52.51 5.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.844 HG11 ' HG3' ' A' ' 71' ' ' PRO . 48.7 t -40.1 131.07 1.59 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 150.17 38.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.434 1.755 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -55.31 -47.73 75.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -56.2 -18.61 10.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -101.33 -27.11 13.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.618 ' HG3' HG12 ' A' ' 60' ' ' VAL . 4.2 mtt-85 -66.99 140.35 96.02 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.244 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 177.1 9.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.783 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.92 ' O ' HG23 ' A' ' 68' ' ' THR . . . -48.26 -52.33 21.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.92 HG23 ' O ' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -172.36 137.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 115.73 27.88 2.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.558 1.162 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.588 ' CE1' ' NE ' ' A' ' 57' ' ' ARG . 68.0 m-85 57.28 162.71 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.844 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.05 130.88 13.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.515 1.797 . . . . 0.0 111.03 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.762 ' O ' HD12 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -84.89 153.47 60.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.513 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -74.95 167.59 26.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.513 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.04 166.03 84.34 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.988 -0.008 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -137.02 110.67 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.545 HG21 ' CD2' ' A' ' 102' ' ' LEU . 3.0 mt -84.36 142.22 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.581 ' CE1' ' HG3' ' A' ' 56' ' ' MET . 12.8 m-85 -147.42 129.05 15.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.513 ' O ' ' N ' ' A' ' 80' ' ' SER . 19.9 t-20 -84.68 96.5 9.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 66.78 -59.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.3 OUTLIER -147.92 -39.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -68.13 167.33 14.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.504 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 15.6 t80 -102.16 150.3 23.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -120.32 -53.63 2.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.339 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.504 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 174.45 174.6 41.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.563 1.165 . . . . 0.0 110.99 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 88' ' ' ALA . 25.7 p-10 -103.73 177.34 4.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 109.318 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -39.7 -34.84 0.27 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.48 -53.3 54.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 85' ' ' ASP . . . -65.7 -30.23 70.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -65.59 -48.73 71.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -64.89 -49.43 70.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -54.51 -54.09 45.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.26 -20.27 40.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.46 ' CA ' HG23 ' A' ' 98' ' ' VAL . 18.9 ttp180 -83.1 -41.18 18.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.44 -40.12 96.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -84.42 7.8 18.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.2 m120 47.65 58.93 4.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -145.47 20.19 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.51 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -50.36 -57.59 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.474 ' N ' HG12 ' A' ' 98' ' ' VAL . 7.9 m-85 -44.78 -41.4 6.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.81 -35.42 76.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 98' ' ' VAL . 22.2 t80 -75.61 -9.88 58.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.545 ' CD2' HG21 ' A' ' 76' ' ' ILE . 29.3 mt -112.84 2.37 15.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.4 ' O ' ' SD ' ' A' ' 8' ' ' MET . . . 67.78 16.9 68.66 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.496 HD21 HG12 ' A' ' 10' ' ' ILE . 21.0 mt -92.0 -174.1 3.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 109.348 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 41.9 m -112.29 149.22 32.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.449 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -97.99 150.71 37.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.442 ' HD3' ' CE2' ' A' ' 99' ' ' TYR . 18.3 Cg_endo -75.02 147.01 33.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.78 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.3 Cg_endo -74.97 97.28 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 121.31 41.45 0.5 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.112 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 113' ' ' ALA . 0.6 OUTLIER -140.3 157.86 44.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 110.007 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.75 -52.69 2.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.492 ' O ' HG23 ' A' ' 115' ' ' VAL . 2.6 mt-10 -47.42 -44.44 24.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 110' ' ' SER . . . -74.51 -46.85 36.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 115' ' ' VAL . 22.8 mm-40 -53.63 -68.67 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.53 HG11 ' HG3' ' A' ' 118' ' ' PRO . 25.5 t 40.35 89.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.7 t -52.52 -61.89 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -154.01 101.6 0.21 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.53 ' HG3' HG11 ' A' ' 115' ' ' VAL . 18.3 Cg_endo -75.05 120.55 6.1 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.69 120.39 6.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 109.952 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.7 t -156.64 161.31 39.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.008 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 p -176.97 165.61 2.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 0.782 . . . . 0.0 110.046 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.3 t -169.43 160.98 9.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 110.025 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.47 -126.53 2.59 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.5 m 58.15 103.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 0.744 . . . . 0.0 109.977 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.66 127.09 45.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.56 -154.75 25.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.5 ptt? -155.81 86.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.753 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.412 ' CG1' ' OE2' ' A' ' 42' ' ' GLU . 1.3 t -88.06 133.85 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.353 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.552 HG12 HD21 ' A' ' 104' ' ' LEU . 9.3 mm -98.43 106.28 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -100.81 125.44 47.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.4 t -112.43 126.85 69.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.585 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 10.2 m-85 -98.41 100.65 11.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.451 HG21 ' HB3' ' A' ' 27' ' ' GLN . 2.8 pt -105.05 170.85 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -116.62 63.39 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 17' ' ' SER . 32.7 t -37.31 120.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.042 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.2 OUTLIER 82.69 37.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.5 t -74.64 157.41 35.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.98 55.78 1.14 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -171.99 101.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.2 m -42.62 -50.89 5.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.372 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.05 -56.99 2.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.9 mt -52.65 -59.89 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 23' ' ' ILE . 28.8 mtmt -38.58 -51.82 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -64.53 -62.26 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.579 ' O ' HG23 ' A' ' 30' ' ' VAL . 46.2 mttt -39.11 -46.37 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.451 ' HB3' HG21 ' A' ' 14' ' ' ILE . 29.7 mt-30 -67.31 -42.15 84.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -65.84 -43.33 88.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 28' ' ' GLN . 15.6 t0 -60.64 -26.28 66.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 26' ' ' LYS . 54.5 t -84.45 -39.47 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.6 mt -74.03 -55.75 5.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.64 -40.25 32.28 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.508 1.13 . . . . 0.0 110.956 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.68 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 66.0 t80 -63.0 -55.25 27.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.791 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.656 HD22 HG21 ' A' ' 39' ' ' ILE . 51.3 mt -60.27 -25.38 65.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -80.6 -45.52 17.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.26 -33.04 75.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -88.73 8.55 28.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 43.71 48.13 6.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.656 HG21 HD22 ' A' ' 34' ' ' LEU . 23.2 mt -87.13 151.87 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -89.51 75.15 1.87 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.477 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 38.7 p90 -106.52 175.39 5.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.412 ' OE2' ' CG1' ' A' ' 9' ' ' VAL . 1.9 mt-10 -131.52 141.36 49.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -96.09 117.83 31.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 14' ' ' ILE . 14.8 mmmt -118.57 115.27 24.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -90.48 123.6 34.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.653 HD12 ' HG3' ' A' ' 53' ' ' ARG . 20.1 pt -91.91 -13.88 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.47 -61.87 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.15 51.95 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 170.27 101.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.67 -49.54 30.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 9.2 pt-20 -39.32 -47.6 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.464 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 11.4 m-20 -60.98 -59.6 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.653 ' HG3' HD12 ' A' ' 46' ' ' ILE . 15.8 ttt180 -52.73 -50.52 63.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 10.2 tttt -56.29 -70.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.756 ' CZ2' ' ND2' ' A' ' 59' ' ' ASN . 64.6 t90 -42.81 -55.6 3.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 108.053 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.588 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 12.3 ttp -45.02 -49.67 11.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.501 ' NE ' ' CD1' ' A' ' 70' ' ' TYR . 7.7 mtp180 -59.62 -42.82 93.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.99 -21.14 66.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.756 ' ND2' ' CZ2' ' A' ' 55' ' ' TRP . 3.6 m120 -86.82 -48.43 8.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.786 HG11 ' HG3' ' A' ' 71' ' ' PRO . 48.1 t -46.65 133.57 8.12 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.94 151.82 40.31 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -63.08 -34.42 77.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -69.78 -8.17 45.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 m -112.12 -24.03 10.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -62.31 137.85 96.09 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.407 1.067 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.417 ' HG3' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo -74.98 -161.63 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.511 1.795 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -105.34 -51.18 3.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.661 HG23 ' H ' ' A' ' 69' ' ' GLY . 0.1 OUTLIER -42.06 -71.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.661 ' H ' HG23 ' A' ' 68' ' ' THR . . . 170.39 123.35 0.68 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.501 ' CD1' ' NE ' ' A' ' 57' ' ' ARG . 36.6 m-85 59.09 149.29 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 111.048 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.786 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.1 Cg_endo -74.96 129.09 12.05 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.6 mt -83.26 148.71 56.68 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.505 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.01 167.59 26.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.505 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -75.0 165.83 84.9 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.013 -2.495 . . . . 0.0 111.009 0.02 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.532 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 45.6 mm-40 -136.91 110.72 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.792 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.8 mp -81.85 131.56 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.588 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 49.1 m-85 -138.35 128.52 25.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 80' ' ' SER . 16.8 t-20 -85.4 97.49 10.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 66.38 -61.22 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.335 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -146.21 -40.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.27 168.96 6.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.575 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 15.7 t80 -102.42 143.58 31.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -115.15 -49.25 2.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.575 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 168.37 -177.31 42.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -112.15 -171.71 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.56 ' CD1' ' HD3' ' A' ' 26' ' ' LYS . 2.2 t80 -51.62 -38.36 54.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.49 -48.97 79.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.99 -38.0 82.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -58.34 -51.79 68.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -59.37 -47.44 85.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -59.34 -48.57 81.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.03 -20.63 62.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.42 ' N ' HG23 ' A' ' 98' ' ' VAL . 11.9 ttp85 -79.64 -54.58 5.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.456 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 1.5 mm-40 -52.93 -36.9 60.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -85.87 9.81 15.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 9.2 m120 42.41 51.05 4.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.75 19.98 2.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.68 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -49.58 -56.17 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.48 ' CD2' ' OE2' ' A' ' 112' ' ' GLU . 5.5 m-85 -46.22 -43.81 15.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.949 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.7 86.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -72.53 -10.82 60.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.792 ' CD2' HG21 ' A' ' 76' ' ' ILE . 30.2 mt -112.7 2.85 16.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 66.32 21.32 70.22 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.552 HD21 HG12 ' A' ' 10' ' ' ILE . 21.7 mt -95.6 -176.24 3.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 28.2 m -110.76 150.08 29.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.399 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -99.77 148.51 34.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.355 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.01 147.07 33.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.777 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.2 Cg_endo -75.06 77.73 3.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.52 1.8 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 138.35 50.93 0.06 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.442 ' H ' ' HB3' ' A' ' 113' ' ' ALA . 0.6 OUTLIER -145.65 174.24 11.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 110.054 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.82 -47.26 77.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.48 ' OE2' ' CD2' ' A' ' 99' ' ' TYR . 3.8 mp0 -55.03 -28.97 56.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.252 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.442 ' HB3' ' H ' ' A' ' 110' ' ' SER . . . -89.09 -41.63 12.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.57 -65.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.353 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.4 t 56.9 107.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 117' ' ' GLY . 3.4 t -89.06 107.39 19.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 116' ' ' SER . . . -37.46 98.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 164.5 33.16 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.553 1.817 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 69.7 m -125.31 96.71 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.6 p -168.05 164.87 13.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.963 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -174.42 86.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 109.966 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.45 -59.04 2.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.014 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.52 147.62 6.85 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.13 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.43 163.07 0.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 0.0 109.974 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.3 104.92 3.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.21 -176.92 48.18 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.579 1.174 . . . . 0.0 111.028 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 ptt? -141.19 85.17 1.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.1 t -86.2 141.68 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.663 HG12 HD21 ' A' ' 104' ' ' LEU . 9.3 mm -106.61 106.14 20.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -101.12 123.22 44.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.5 t -109.04 129.67 63.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -100.76 99.16 9.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 46' ' ' ILE . 2.7 pt -104.97 169.48 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -112.98 63.66 0.64 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.138 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 17' ' ' SER . 35.5 t -38.79 125.61 1.47 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 110.026 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.2 OUTLIER 82.68 41.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 m -75.45 172.33 12.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.038 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.41 -49.66 1.98 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -72.36 117.78 14.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.5 m -54.15 -41.32 68.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.386 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.66 -54.39 6.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.3 mt -53.07 -60.81 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -39.8 -51.49 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -63.71 -61.04 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -41.39 -58.97 1.7 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.41 ' HB3' HG21 ' A' ' 14' ' ' ILE . 30.1 mt-30 -51.83 -50.95 59.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -64.2 -19.04 65.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 25' ' ' LYS . 2.6 t70 -79.55 -34.88 40.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.482 HG22 ' CD2' ' A' ' 89' ' ' PHE . 79.7 t -80.42 -34.08 14.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 78.8 mt -76.16 -52.76 9.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -51.88 -38.46 46.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.605 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 48.2 t80 -63.98 -51.04 66.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 0.745 . . . . 0.0 111.058 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.644 HD23 HD12 ' A' ' 39' ' ' ILE . 39.2 mt -64.28 -19.9 65.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -86.01 -42.0 14.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.0 -31.47 66.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -86.72 0.22 55.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt 52.1 49.62 20.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.644 HD12 HD23 ' A' ' 34' ' ' LEU . 78.6 mt -91.85 155.66 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.96 75.81 1.39 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.564 1.165 . . . . 0.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 34.6 p90 -108.96 176.27 5.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.1 mm-40 -131.74 151.42 51.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -105.2 112.8 26.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.253 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 14' ' ' ILE . 12.4 mmmt -114.7 118.35 33.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -88.77 138.35 31.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 14' ' ' ILE . 20.2 pt -110.55 -15.81 9.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.08 -47.29 68.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.71 -85.77 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.59 124.2 16.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.23 -51.14 8.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 9.2 pt-20 -40.29 -47.99 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.488 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 7.5 m-20 -52.36 -54.23 34.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.443 ' NE ' HD12 ' A' ' 46' ' ' ILE . 37.0 ttt180 -60.96 -62.68 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -46.09 -64.97 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 68.0 t90 -44.38 -61.87 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 108.035 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.586 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 15.6 ttp -41.41 -61.66 1.01 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.687 ' CD ' ' CD1' ' A' ' 70' ' ' TYR . 28.3 mtm180 -40.39 -53.08 2.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -52.57 -44.07 65.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 60' ' ' VAL . 15.3 m120 -63.06 -57.05 11.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.885 HG11 ' HG3' ' A' ' 71' ' ' PRO . 73.4 t -37.41 127.47 0.86 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.484 ' HB2' ' ND2' ' A' ' 63' ' ' ASN . 18.3 Cg_endo -75.06 148.32 34.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.475 1.776 . . . . 0.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.441 ' HA ' ' CD ' ' A' ' 65' ' ' ARG . 12.6 pt-20 -63.86 -25.05 67.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.484 ' ND2' ' HB2' ' A' ' 61' ' ' PRO . 8.6 p30 -79.65 -4.83 53.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.2 m -120.4 -4.55 9.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.46 ' HG3' HG12 ' A' ' 60' ' ' VAL . 5.6 mtt180 -78.41 150.0 76.16 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.402 ' HG3' ' HA ' ' A' ' 71' ' ' PRO . 18.2 Cg_endo -75.0 -178.5 4.21 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.541 1.811 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.414 ' O ' ' HB ' ' A' ' 68' ' ' THR . . . -52.53 -51.08 61.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 67' ' ' ALA . 8.2 t -175.95 136.21 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.374 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 70' ' ' TYR . . . 116.59 33.72 1.39 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.687 ' CD1' ' CD ' ' A' ' 57' ' ' ARG . 79.8 m-85 55.21 163.29 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.885 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.97 128.41 11.48 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.546 1.813 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 72' ' ' LEU . 15.6 mt -87.21 154.14 54.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.531 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.5 Cg_endo -74.95 168.65 24.36 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.531 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -74.99 159.93 97.29 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 121.02 -2.492 . . . . 0.0 110.964 -0.009 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.403 ' NE2' ' O ' ' A' ' 72' ' ' LEU . 54.7 mm-40 -129.96 112.31 13.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.238 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.61 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.8 mp -88.35 138.14 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.586 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 13.8 m-85 -143.66 128.64 18.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.962 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 80' ' ' SER . 22.4 t-20 -84.02 95.77 8.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 65.79 -59.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.1 OUTLIER -148.46 -38.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.45 163.78 15.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -102.44 136.63 41.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -107.35 -56.48 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.31 -170.21 43.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.135 . . . . 0.0 110.979 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -117.88 -176.92 3.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 0.6 OUTLIER -43.96 -35.63 2.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -61.53 -55.81 26.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.5 -34.81 77.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.482 ' CD2' HG22 ' A' ' 30' ' ' VAL . 33.6 t80 -62.87 -45.24 93.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -65.71 -49.02 70.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -56.21 -52.93 62.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.416 ' HB1' ' HA ' ' A' ' 98' ' ' VAL . . . -55.24 -26.61 40.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.083 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.46 ' N ' HG23 ' A' ' 98' ' ' VAL . 0.9 OUTLIER -75.66 -52.31 10.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.281 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.66 -40.49 60.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -87.35 12.51 11.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.1 m120 41.42 63.46 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.52 22.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.605 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -53.45 -52.48 32.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.426 ' N ' HG12 ' A' ' 98' ' ' VAL . 8.7 m-85 -46.23 -47.23 18.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.31 98.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -67.87 -10.89 56.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.61 ' CD2' HG21 ' A' ' 76' ' ' ILE . 32.3 mt -111.91 -0.9 15.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 71.74 17.15 76.48 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.663 HD21 HG12 ' A' ' 10' ' ' ILE . 21.3 mt -91.82 -175.61 4.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 73.2 m -114.64 147.33 39.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -95.96 151.61 38.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.4 Cg_endo -74.94 145.98 32.35 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.2 Cg_endo -75.0 77.58 3.1 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.479 1.778 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 141.95 48.1 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.476 ' O ' ' HB3' ' A' ' 113' ' ' ALA . 0.6 OUTLIER -148.36 163.82 35.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 0.786 . . . . 0.0 109.992 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 115' ' ' VAL . 14.1 tptt -45.68 -56.76 4.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -45.08 -33.2 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 110' ' ' SER . . . -77.54 -47.46 19.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 115' ' ' VAL . 1.9 mt-10 -79.54 -76.94 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 114' ' ' GLU . 3.9 p 35.02 85.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.7 -59.36 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.412 1.07 . . . . 0.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 169.58 151.74 7.5 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 168.62 24.42 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.7 t -133.91 91.97 2.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 84.3 p -171.86 133.89 0.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.977 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.426 1.079 . . . . 0.0 110.973 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.99 115.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 0.784 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t 64.06 94.15 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.95 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.88 104.45 0.18 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 p -92.21 164.13 13.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 0.778 . . . . 0.0 110.019 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.48 83.16 2.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.54 176.6 41.57 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.475 1.109 . . . . 0.0 111.039 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.498 ' CE ' ' O ' ' A' ' 103' ' ' GLY . 96.4 mtp -119.91 91.14 3.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -71.85 140.91 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.243 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 42' ' ' GLU . 12.6 mm -108.28 106.65 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.3 mtt-85 -100.95 131.52 46.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.848 HG13 ' O ' ' A' ' 75' ' ' GLN . 13.7 t -119.75 130.77 73.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.419 ' CD2' ' HB2' ' A' ' 56' ' ' MET . 20.5 m-85 -100.29 100.71 11.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.424 ' N ' ' O ' ' A' ' 44' ' ' LYS . 3.1 pt -105.32 161.9 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.508 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -109.06 62.4 0.6 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' ALA . 42.5 t -38.15 130.2 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.015 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.69 27.4 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.016 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.9 t -52.46 -68.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.51 -46.64 0.99 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.5 109.41 10.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.052 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.8 m -42.05 -40.72 2.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.71 -64.08 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' LYS . 4.1 mt -51.63 -61.13 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ILE . 41.1 mtmt -40.06 -50.75 2.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -60.59 -64.77 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -42.54 -57.17 2.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -52.74 -41.13 63.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -74.76 -18.44 60.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 25' ' ' LYS . 5.7 t70 -83.58 -35.38 24.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.486 HG21 ' HG2' ' A' ' 74' ' ' PRO . 89.4 t -79.21 -31.13 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.6 mt -81.53 -51.69 8.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.71 -33.45 59.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.433 ' CE1' ' ND2' ' A' ' 37' ' ' ASN . 46.0 t80 -65.82 -56.06 13.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 0.801 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.56 HD22 HG21 ' A' ' 39' ' ' ILE . 16.3 mt -58.6 -24.13 60.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -80.34 -41.36 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.6 -26.87 62.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.433 ' ND2' ' CE1' ' A' ' 33' ' ' PHE . 35.1 m-80 -93.58 1.03 56.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 51.63 51.3 16.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.56 HG21 HD22 ' A' ' 34' ' ' LEU . 46.5 mt -95.02 148.51 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.65 77.87 2.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 48.1 p90 -108.12 176.22 5.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.9 OUTLIER -130.98 149.64 52.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 0.0 110.279 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -106.45 114.1 28.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 14' ' ' ILE . 11.1 mmmt -114.48 119.26 36.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.56 131.32 34.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.508 HD11 ' HB2' ' A' ' 15' ' ' ALA . 25.6 pt -102.93 -23.15 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.63 -73.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.87 -79.34 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -54.42 123.96 14.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 51' ' ' GLU . 1.1 tp10 -86.36 -53.21 5.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 11.2 pt-20 -38.46 -52.7 1.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.431 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 9.6 m-20 -52.57 -53.09 51.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.466 ' NE ' HD12 ' A' ' 46' ' ' ILE . 47.0 ttt180 -60.77 -58.03 10.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 0.7 OUTLIER -50.11 -67.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.754 ' CH2' ' ND2' ' A' ' 59' ' ' ASN . 82.5 t90 -43.32 -54.73 4.46 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.584 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 6.7 ttp -52.2 -49.19 64.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.565 ' HD2' ' CD1' ' A' ' 70' ' ' TYR . 77.5 mtm180 -58.22 -28.88 65.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -88.88 -15.44 34.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.287 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.754 ' ND2' ' CH2' ' A' ' 55' ' ' TRP . 4.0 m-20 -82.78 -54.99 4.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.541 HG21 ' CG ' ' A' ' 71' ' ' PRO . 92.4 t -39.86 135.68 1.28 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.519 ' HD3' ' CG ' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -74.99 149.18 36.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -64.39 -16.2 61.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.71 -12.58 53.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.516 ' HG ' ' HE1' ' A' ' 82' ' ' TYR . 2.0 m -110.67 -23.68 10.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -58.51 143.8 80.22 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.274 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.93 19.32 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.524 1.802 . . . . 0.0 111.028 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.66 -45.5 19.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.6 t -175.13 139.36 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.389 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.86 26.62 3.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.565 ' CD1' ' HD2' ' A' ' 57' ' ' ARG . 31.4 m-85 54.75 166.71 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.541 ' CG ' HG21 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.96 118.29 5.22 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 111.036 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.797 ' O ' HD12 ' A' ' 72' ' ' LEU . 1.5 pp -81.81 149.37 63.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.541 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -74.98 169.64 22.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.541 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.04 171.82 66.17 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.012 0.071 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.848 ' O ' HG13 ' A' ' 12' ' ' VAL . 2.7 mm100 -132.34 137.45 47.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.619 HG22 ' HB2' ' A' ' 83' ' ' ARG . 3.9 mp -104.55 103.95 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.584 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 37.6 m-85 -117.6 129.0 55.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.506 ' O ' ' N ' ' A' ' 80' ' ' SER . 25.6 t-20 -89.65 96.68 10.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 78' ' ' ASN . 70.5 mt-10 67.16 -56.99 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -149.78 -39.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.962 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.54 163.47 13.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.526 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 31.1 t80 -101.76 141.72 34.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.619 ' HB2' HG22 ' A' ' 76' ' ' ILE . 26.8 mmm180 -114.47 -44.46 3.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.526 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 159.47 -179.98 34.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.133 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.5 p-10 -101.36 -171.11 1.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.425 ' CB ' ' HD2' ' A' ' 74' ' ' PRO . 0.2 OUTLIER -51.75 -42.53 62.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.417 ' N ' ' CD1' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -55.3 -43.62 75.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.49 -40.59 73.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.472 ' CD2' HG22 ' A' ' 30' ' ' VAL . 15.5 t80 -57.88 -51.65 68.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -60.52 -52.71 64.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -51.32 -56.02 15.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.72 -29.13 37.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.523 ' CA ' HG23 ' A' ' 98' ' ' VAL . 42.6 ttp180 -74.28 -48.52 27.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -52.74 -40.69 63.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -86.99 11.11 14.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 45.54 58.06 4.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -141.54 15.86 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.523 HG23 ' CA ' ' A' ' 93' ' ' ARG . 0.9 OUTLIER -45.45 -59.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.508 ' N ' HG12 ' A' ' 98' ' ' VAL . 8.0 m-85 -43.95 -44.8 7.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.32 95.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CE2' HG21 ' A' ' 76' ' ' ILE . 30.0 t80 -67.28 -11.97 58.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.585 ' CD2' HG21 ' A' ' 76' ' ' ILE . 33.0 mt -109.89 -3.21 16.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.498 ' O ' ' CE ' ' A' ' 8' ' ' MET . . . 73.8 13.57 80.51 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.448 1.092 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.8 mt -88.69 -174.43 4.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 76.0 m -117.82 146.12 44.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.386 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -95.81 148.76 35.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 152.09 40.04 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.462 1.77 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 55.96 4.09 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 168.27 40.76 0.03 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 110.973 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.4 ' OG ' ' N ' ' A' ' 111' ' ' LYS . 1.0 OUTLIER -130.3 173.24 10.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 0.0 110.032 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.4 ' N ' ' OG ' ' A' ' 110' ' ' SER . 2.0 tptt -65.95 -29.37 69.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.497 ' OE2' ' CD2' ' A' ' 99' ' ' TYR . 1.3 mp0 -71.1 -28.97 64.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -92.05 -34.67 14.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 116' ' ' SER . 63.9 mm-40 -73.05 -62.01 1.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 116' ' ' SER . 81.6 t 59.23 -85.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 114' ' ' GLU . 0.2 OUTLIER 78.64 113.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.005 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 109.53 148.81 12.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -47.95 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.476 1.777 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 80.9 p -66.41 -62.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.013 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.9 t 63.59 80.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.5 0.191 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.494 ' CG1' ' OE2' ' A' ' 42' ' ' GLU . 1.4 t -90.44 137.37 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.566 HG12 HD21 ' A' ' 104' ' ' LEU . 7.1 mm -102.25 105.39 17.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -101.6 129.24 47.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -117.03 137.65 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.528 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 22.5 m-85 -105.25 96.99 6.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' ILE . 2.1 pt -104.88 176.88 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -124.17 69.62 1.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' ALA . 13.1 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.63 -56.29 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mt -51.3 -63.62 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -40.91 -51.35 3.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' ASP . 1.3 mptt -59.47 -63.42 1.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -40.26 -57.38 1.74 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -52.96 -47.85 67.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -66.18 -19.51 65.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 25' ' ' LYS . 7.8 t0 -78.7 -33.93 46.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.6 t -81.27 -35.58 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.23 -56.19 5.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.98 -42.48 22.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.738 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 51.0 t80 -60.27 -53.28 59.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 0.763 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.589 HD22 HG21 ' A' ' 39' ' ' ILE . 78.3 mt -61.71 -25.72 67.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -80.37 -42.82 22.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.94 -31.2 67.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -86.96 1.85 51.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 mmtm 50.95 46.78 25.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.589 HG21 HD22 ' A' ' 34' ' ' LEU . 66.7 mt -90.2 150.9 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -89.18 83.1 1.44 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 37.0 p90 -114.69 175.68 5.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.494 ' OE2' ' CG1' ' A' ' 9' ' ' VAL . 1.6 mt-10 -131.28 139.14 49.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -93.32 112.41 24.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 14' ' ' ILE . 12.7 mmmt -113.1 120.03 39.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 47' ' ' ALA . 55.0 t0 -91.04 137.29 32.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.458 HD12 ' HG3' ' A' ' 53' ' ' ARG . 18.1 pt -106.27 -26.64 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.429 ' N ' ' OD1' ' A' ' 45' ' ' ASP . . . -52.33 -62.52 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.21 -74.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.66 119.4 6.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.21 -53.81 5.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 10.2 pt-20 -39.87 -47.31 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.474 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 10.8 m-20 -55.47 -53.49 55.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.458 ' HG3' HD12 ' A' ' 46' ' ' ILE . 40.7 ttt180 -61.25 -53.96 50.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -55.86 -65.88 0.52 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.6 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 89.0 t90 -44.17 -58.77 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 107.98 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.546 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 4.7 ttp -48.09 -46.47 33.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.603 ' NH2' ' CD2' ' A' ' 70' ' ' TYR . 14.3 mtt180 -59.07 -39.96 83.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.71 -15.29 61.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.6 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.6 m-80 -91.5 -49.87 6.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.778 HG11 ' HG3' ' A' ' 71' ' ' PRO . 25.0 t -41.07 133.43 1.86 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.31 39.47 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 111.035 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -62.47 -42.53 99.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.2 -15.14 31.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.8 m -105.9 -25.22 12.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.965 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.552 ' HG3' HG12 ' A' ' 60' ' ' VAL . 39.7 mtp85 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.603 ' CD2' ' NH2' ' A' ' 57' ' ' ARG . 87.4 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.553 0.216 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.778 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.01 128.13 11.23 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.2 mt -81.93 152.0 68.1 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.354 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.525 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -74.95 168.26 25.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.525 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.1 Cg_endo -75.07 167.25 81.01 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.953 0.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.4 ' HG2' ' HA ' ' A' ' 73' ' ' PRO . 62.6 mm-40 -138.37 111.34 7.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.668 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -85.52 138.11 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.546 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 12.6 m-85 -144.93 128.7 17.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 80' ' ' SER . 22.7 t-20 -83.86 96.45 8.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 65.73 -59.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 78' ' ' ASN . 3.7 t -145.81 -39.81 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.13 161.3 22.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.522 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 6.0 t80 -98.07 145.97 26.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 111.058 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -115.52 -55.76 2.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.522 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 170.75 179.0 41.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.145 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 88' ' ' ALA . 25.6 p-10 -108.63 176.94 4.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.421 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.0 OUTLIER -37.88 -36.08 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 110.945 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -63.23 -55.0 28.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 85' ' ' ASP . . . -64.33 -28.61 69.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -68.02 -51.98 40.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -60.61 -47.5 85.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -55.46 -50.7 69.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.23 -25.57 67.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.633 ' HA ' HG23 ' A' ' 98' ' ' VAL . 25.6 ttp85 -73.14 -55.89 5.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.452 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 1.6 mm-40 -53.71 -35.3 61.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.143 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -84.71 7.72 19.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.8 m120 45.54 48.16 11.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -139.37 31.04 2.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.738 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 1.4 t -60.13 -55.44 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -46.09 -40.35 10.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.54 -36.55 78.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -73.98 -10.02 59.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.668 ' CD2' HG21 ' A' ' 76' ' ' ILE . 31.3 mt -112.64 2.32 16.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 67.77 18.2 70.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.163 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.566 HD21 HG12 ' A' ' 10' ' ' ILE . 23.7 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 103' ' ' GLY . 73.6 mtp . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.48 0.181 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.1 t -75.71 141.29 16.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 42' ' ' GLU . 10.5 mm -105.28 105.56 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -101.43 123.61 45.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 t -107.91 128.49 63.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 19.6 m-85 -97.76 97.35 8.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 46' ' ' ILE . 2.7 pt -105.26 -178.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -126.82 65.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 15' ' ' ALA . 29.9 t . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.0 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.11 -53.06 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.1 mt -57.08 -63.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -40.0 -56.69 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -54.81 -60.93 2.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -43.8 -57.49 3.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.406 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 29.4 mt-30 -52.6 -46.51 67.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.26 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -70.11 -15.7 63.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 110.25 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 25' ' ' LYS . 5.0 t0 -82.28 -35.51 27.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.574 HG22 ' CD2' ' A' ' 89' ' ' PHE . 41.8 t -81.12 -34.34 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.0 mt -76.75 -55.41 5.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.237 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.27 -37.7 18.21 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.499 ' CD1' ' ND2' ' A' ' 37' ' ' ASN . 60.7 t80 -64.69 -53.65 44.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 0.755 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.625 HD22 HG21 ' A' ' 39' ' ' ILE . 26.7 mt -62.31 -17.0 57.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -88.66 -39.17 14.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.86 -28.43 55.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.499 ' ND2' ' CD1' ' A' ' 33' ' ' PHE . 26.3 m-80 -89.9 8.56 31.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm 44.99 47.59 9.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.625 HG21 HD22 ' A' ' 34' ' ' LEU . 67.1 mt -90.62 154.51 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.71 78.92 1.15 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.537 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 35.4 p90 -111.02 175.97 5.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 0.782 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.1 mm-40 -130.73 150.62 51.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -104.62 112.79 26.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 14' ' ' ILE . 13.0 mmmt -115.03 110.81 20.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.401 ' OD1' ' HB3' ' A' ' 47' ' ' ALA . 3.8 t70 -88.35 131.3 34.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.489 HD12 ' HG3' ' A' ' 53' ' ' ARG . 16.5 pt -97.44 -27.24 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.401 ' HB3' ' OD1' ' A' ' 45' ' ' ASP . . . -52.94 -60.83 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.15 57.05 1.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 169.43 93.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -70.42 -52.56 21.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.279 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 12.9 pt-20 -37.12 -47.38 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.316 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.468 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 7.0 m-20 -61.89 -50.47 72.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.489 ' HG3' HD12 ' A' ' 46' ' ' ILE . 23.9 ttt180 -62.48 -54.03 46.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 1.3 ttmm -50.53 -64.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.424 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 77.0 t90 -48.08 -62.03 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 107.983 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.564 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 6.7 ttp -45.53 -49.65 13.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.54 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 47.8 mtt180 -52.22 -42.4 63.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.73 -22.95 62.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 4.2 m-80 -83.22 -49.02 9.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.871 HG11 ' HG3' ' A' ' 71' ' ' PRO . 7.0 t -40.6 134.76 1.59 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.497 ' HD3' ' CG ' ' A' ' 82' ' ' TYR . 18.2 Cg_endo -74.98 153.97 42.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -65.67 -21.65 66.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.38 -7.73 59.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.1 t -109.18 -27.34 9.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.979 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.28 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.54 ' CD1' ' HD3' ' A' ' 57' ' ' ARG . 58.1 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.481 0.181 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.871 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.01 139.01 23.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.7 mt -88.82 149.56 43.95 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.526 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.03 168.43 24.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.526 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.02 164.73 87.73 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.963 -2.515 . . . . 0.0 111.023 0.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -134.42 110.44 9.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.427 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -82.96 139.02 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.547 ' CE2' ' HB2' ' A' ' 82' ' ' TYR . 11.1 m-85 -146.88 129.04 15.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.516 ' O ' ' N ' ' A' ' 80' ' ' SER . 24.7 t-20 -83.52 96.82 8.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 65.92 -62.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -143.51 -38.3 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 109.985 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.2 162.9 26.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.547 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 3.3 t80 -100.94 141.86 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -111.72 -55.12 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.506 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 176.92 -176.96 48.23 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -112.99 179.65 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -39.9 -37.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.976 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.83 -58.76 6.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.69 -31.57 70.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.574 ' CD2' HG22 ' A' ' 30' ' ' VAL . 21.1 t80 -64.73 -52.84 54.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.424 ' CE2' ' CD ' ' A' ' 94' ' ' GLU . 43.1 t80 -61.09 -49.38 77.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -54.06 -54.57 37.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.19 -22.64 30.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.648 ' HA ' HG23 ' A' ' 98' ' ' VAL . 29.9 ttp180 -81.6 -49.07 10.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.424 ' CD ' ' CE2' ' A' ' 90' ' ' PHE . 5.6 mt-10 -57.15 -36.97 71.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -86.16 9.88 16.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.9 m120 44.99 62.04 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -153.7 25.46 0.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.648 HG23 ' HA ' ' A' ' 93' ' ' ARG . 1.5 t -53.69 -58.64 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.41 ' N ' HG12 ' A' ' 98' ' ' VAL . 12.1 m-85 -42.28 -41.75 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.99 90.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 98' ' ' VAL . 22.2 t80 -68.57 -10.51 56.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.427 ' CD2' HG21 ' A' ' 76' ' ' ILE . 27.2 mt -112.69 -5.18 13.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.4 ' O ' ' SD ' ' A' ' 8' ' ' MET . . . 73.82 15.06 79.65 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.441 HD11 HG13 ' A' ' 10' ' ' ILE . 22.4 mt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.446 ' CE ' ' HA3' ' A' ' 103' ' ' GLY . 37.8 mtp . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.507 0.194 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.447 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 1.3 t -75.04 151.18 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.627 HG13 HD11 ' A' ' 104' ' ' LEU . 17.1 mm -118.45 104.28 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 77' ' ' PHE . 42.4 mtt180 -101.1 125.74 47.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.261 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.51 HG12 HG23 ' A' ' 14' ' ' ILE . 47.9 t -107.32 130.11 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 22.2 m-85 -99.9 95.36 6.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.51 HG23 HG12 ' A' ' 12' ' ' VAL . 3.0 pt -105.06 164.96 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.432 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -113.88 65.54 0.66 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 15' ' ' ALA . 30.3 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.046 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.03 -57.74 10.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.419 HG22 ' NE2' ' A' ' 27' ' ' GLN . 3.9 mt -55.98 -60.05 2.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' ILE . 7.8 mtpt -39.95 -55.36 2.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.113 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -59.22 -64.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -40.59 -57.87 1.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.419 ' NE2' HG22 ' A' ' 23' ' ' ILE . 30.9 mt-30 -51.58 -57.71 8.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -57.63 -21.31 38.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 25' ' ' LYS . 5.0 t70 -78.33 -33.66 49.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.586 HG22 ' CD2' ' A' ' 89' ' ' PHE . 77.5 t -82.0 -31.83 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.457 HD11 HD13 ' A' ' 14' ' ' ILE . 87.7 mt -79.24 -54.25 6.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.235 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.52 -37.44 19.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.608 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 59.8 t80 -64.42 -53.0 55.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 0.74 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.628 HD22 HG21 ' A' ' 39' ' ' ILE . 28.7 mt -63.26 -18.78 63.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -85.22 -44.73 12.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.64 -32.49 71.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -87.3 5.1 40.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 45.27 48.07 10.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.628 HG21 HD22 ' A' ' 34' ' ' LEU . 22.5 mt -86.52 151.48 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.75 70.56 3.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.549 1.155 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 28.4 p90 -106.61 176.19 5.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 10' ' ' ILE . 2.7 mm-40 -133.64 151.21 51.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -106.32 118.42 36.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.352 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -116.26 105.23 12.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -80.61 123.11 27.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.577 HD12 ' CD ' ' A' ' 53' ' ' ARG . 22.5 pt -93.7 -11.95 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.09 50.32 1.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -175.12 -67.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -93.83 90.81 6.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -50.72 -45.26 58.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' GLU . 11.2 pt-20 -36.35 -41.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -68.91 -55.67 10.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.577 ' CD ' HD12 ' A' ' 46' ' ' ILE . 31.3 ttt180 -56.64 -46.04 81.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -58.85 -67.68 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.584 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 89.0 t90 -45.48 -53.76 8.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 108.011 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.57 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 5.8 ttp -54.87 -40.42 69.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -64.58 -32.74 74.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -83.12 -20.47 34.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.584 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.0 OUTLIER -81.41 -55.65 4.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.581 HG11 ' HG3' ' A' ' 71' ' ' PRO . 76.4 t -44.31 128.63 4.67 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 154.27 42.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.489 1.783 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -64.57 -38.09 89.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -65.91 -11.46 47.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 32.7 m -110.45 -19.11 13.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.481 0.181 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.581 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -75.02 122.79 7.41 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.557 1.82 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 72' ' ' LEU . 13.8 mt -82.3 150.24 63.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.513 ' HA ' ' C ' ' A' ' 74' ' ' PRO . 18.1 Cg_endo -75.01 167.26 27.42 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.488 1.783 . . . . 0.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 73' ' ' PRO . 18.5 Cg_endo -74.97 166.77 82.37 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.004 -2.498 . . . . 0.0 111.005 -0.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 -138.23 110.77 7.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.699 HD11 ' HB2' ' A' ' 89' ' ' PHE . 2.7 mp -76.48 127.19 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' A' ' 11' ' ' ARG . 1.8 m-85 -141.98 130.73 22.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' SER . 18.6 t-20 -102.59 98.35 8.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 62.82 -76.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.27 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -141.4 12.95 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.982 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 82' ' ' TYR . 4.1 tt0 -112.12 142.56 44.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.453 ' N ' ' HG3' ' A' ' 81' ' ' GLN . 9.9 t80 -95.82 115.22 27.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.682 HH21 ' N ' ' A' ' 103' ' ' GLY . 11.5 mmm180 -86.98 -53.1 5.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.427 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 169.43 -162.6 36.19 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.122 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -121.5 -171.43 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -44.93 -37.22 3.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.14 -55.24 34.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.65 -34.02 76.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.257 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.699 ' HB2' HD11 ' A' ' 76' ' ' ILE . 10.7 t80 -63.33 -37.53 87.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -77.27 -50.77 12.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -53.32 -56.11 19.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.66 -25.66 28.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.628 ' HA ' HG23 ' A' ' 98' ' ' VAL . 42.9 ttp85 -78.85 -44.36 23.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.58 -38.43 81.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -84.54 7.88 18.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 49.3 53.89 11.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -147.84 37.78 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.628 HG23 ' HA ' ' A' ' 93' ' ' ARG . 1.4 t -65.07 -60.01 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.451 ' N ' HG12 ' A' ' 98' ' ' VAL . 17.9 m-85 -42.79 -45.02 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.52 -41.99 96.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -67.32 -11.9 58.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.578 ' CD2' HG21 ' A' ' 76' ' ' ILE . 29.5 mt -112.7 1.89 15.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.682 ' N ' HH21 ' A' ' 83' ' ' ARG . . . 66.74 21.71 71.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.627 HD11 HG13 ' A' ' 10' ' ' ILE . 17.9 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ptt? . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.511 0.196 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.489 HG11 ' HE ' ' A' ' 11' ' ' ARG . 1.3 t -86.48 137.33 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.541 HG12 HD21 ' A' ' 104' ' ' LEU . 7.7 mm -100.85 105.13 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.489 ' HE ' HG11 ' A' ' 9' ' ' VAL . 22.8 mtt180 -101.3 127.97 47.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -113.7 130.84 67.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.405 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 29.0 m-85 -99.1 97.71 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.1 pt -105.23 168.11 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -115.6 63.65 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' ALA . 37.2 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.1 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.41 -53.53 5.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.7 mt -53.72 -58.53 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 23' ' ' ILE . 41.3 mtmt -40.36 -54.99 2.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -57.6 -62.74 1.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.456 ' HG2' ' CE2' ' A' ' 86' ' ' TYR . 24.4 mttt -40.59 -59.11 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -51.15 -49.06 61.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -63.61 -27.79 69.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 25' ' ' LYS . 17.1 t0 -70.96 -30.34 66.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.7 t -81.54 -30.76 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.1 mt -79.18 -54.24 6.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.54 -42.63 35.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.616 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 38.8 t80 -61.05 -54.84 39.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 0.771 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.583 HD23 HD12 ' A' ' 39' ' ' ILE . 43.1 mt -60.09 -25.4 65.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -79.73 -41.4 26.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.297 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.46 -25.97 60.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -91.73 4.38 52.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt 48.09 48.33 18.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.583 HD12 HD23 ' A' ' 34' ' ' LEU . 74.7 mt -92.86 146.94 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.64 74.47 2.35 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 47.9 p90 -103.73 175.95 5.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.6 mm-40 -130.56 150.4 51.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -105.11 111.22 23.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -112.26 118.83 36.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.67 132.43 35.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.63 HD12 ' HE ' ' A' ' 53' ' ' ARG . 17.1 pt -104.68 -21.63 5.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.5 -57.95 8.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.73 -86.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -43.63 114.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -54.71 5.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 9.8 pt-20 -39.45 -47.49 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.257 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.476 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 9.8 m-20 -58.17 -50.39 73.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.63 ' HE ' HD12 ' A' ' 46' ' ' ILE . 12.5 ttt180 -63.54 -53.3 54.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 110.348 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 55' ' ' TRP . 1.7 ttmm -56.51 -64.85 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.607 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 92.2 t90 -41.93 -61.57 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 107.987 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.46 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 2.2 ttp -43.69 -48.27 7.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.562 ' NE ' ' CG ' ' A' ' 70' ' ' TYR . 0.7 OUTLIER -59.0 -39.28 81.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.31 -13.32 60.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.607 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 2.1 m-80 -94.79 -51.58 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.794 HG11 ' HG3' ' A' ' 71' ' ' PRO . 16.3 t -40.22 132.22 1.6 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.42 ' HD3' ' CG ' ' A' ' 82' ' ' TYR . 18.5 Cg_endo -74.89 154.39 43.04 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -59.88 -45.11 93.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -58.12 -17.02 15.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.6 t -98.9 -30.26 12.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.562 ' CG ' ' NE ' ' A' ' 57' ' ' ARG . 81.5 m-85 . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.505 0.193 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.794 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.97 129.53 12.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.5 mt -83.41 151.1 61.74 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.525 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.03 168.4 24.89 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.525 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.1 Cg_endo -75.0 170.24 72.38 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.942 0.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -139.96 112.15 7.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.473 HG21 ' CD2' ' A' ' 102' ' ' LEU . 3.0 mp -82.35 139.05 18.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.553 ' CE1' ' HB2' ' A' ' 82' ' ' TYR . 11.4 m-85 -146.83 128.8 15.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' A' ' 80' ' ' SER . 23.2 t-20 -86.08 96.35 9.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 66.5 -59.79 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -145.78 -37.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.99 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 160.97 29.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.553 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 1.9 t80 -100.85 141.01 34.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -108.86 -59.91 1.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.462 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . -178.49 -176.13 46.15 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -110.33 -176.82 3.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.456 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 3.2 t80 -45.11 -36.94 3.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -61.47 -51.93 66.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.12 -32.21 73.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -65.57 -41.1 93.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -70.58 -46.68 63.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -58.87 -52.41 65.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.14 -23.74 56.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.54 ' HA ' HG23 ' A' ' 98' ' ' VAL . 2.6 ttp85 -75.01 -54.01 7.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -54.08 -36.76 63.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -83.02 5.59 21.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 47.71 38.79 9.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -128.57 29.55 5.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.616 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -56.82 -58.14 6.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.497 ' N ' HG12 ' A' ' 98' ' ' VAL . 9.5 m-85 -42.56 -42.35 3.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 111.011 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.71 93.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.449 ' N ' ' O ' ' A' ' 98' ' ' VAL . 18.8 t80 -70.45 -9.48 56.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.48 ' O ' HD11 ' A' ' 10' ' ' ILE . 22.6 mt -113.62 1.59 14.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 65.3 27.4 72.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.541 HD21 HG12 ' A' ' 10' ' ' ILE . 22.0 mt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.3 mtm . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.491 0.186 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 t -80.53 136.55 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.522 HG12 HD21 ' A' ' 104' ' ' LEU . 7.6 mm -101.93 104.97 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.2 mtt-85 -101.09 123.69 45.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -107.12 129.84 60.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 16.2 m-85 -98.07 97.67 9.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.0 pt -105.18 173.55 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.53 64.69 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.5 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.939 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.2 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.4 -54.32 6.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.8 mt -59.91 -59.75 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ILE . 43.6 mtmt -40.17 -54.3 2.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.03 -63.23 1.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.545 ' HG2' ' CE2' ' A' ' 86' ' ' TYR . 22.2 mttt -40.79 -58.41 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -50.6 -45.04 57.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -66.8 -35.94 81.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -63.44 -29.28 70.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.8 t -81.46 -36.96 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.6 mt -73.82 -54.66 7.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.03 -42.46 23.31 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.523 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 56.4 t80 -62.01 -56.19 21.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.777 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.567 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 46.0 mt -59.51 -23.35 62.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -82.38 -44.47 16.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.16 -30.23 69.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -89.28 1.73 55.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 mttp 49.57 54.8 10.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.567 HG21 HD22 ' A' ' 34' ' ' LEU . 48.3 mt -96.16 148.62 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.29 71.77 2.77 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 49.9 p90 -102.39 176.32 5.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 0.788 . . . . 0.0 111.048 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.3 mm-40 -131.11 151.02 51.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -105.08 111.82 24.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -112.84 118.6 35.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -90.46 137.83 32.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.58 HD12 ' HG3' ' A' ' 53' ' ' ARG . 17.3 pt -110.56 -17.61 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.41 -54.77 23.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.72 -73.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.94 126.13 28.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -49.36 7.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 52' ' ' ASN . 16.1 pt-20 -38.39 -50.38 1.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 110.349 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.424 ' O ' ' CB ' ' A' ' 56' ' ' MET . 9.7 m-20 -53.02 -53.69 46.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.58 ' HG3' HD12 ' A' ' 46' ' ' ILE . 25.6 ttt180 -60.58 -55.53 32.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -53.4 -65.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.401 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 83.1 t90 -45.81 -60.48 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.568 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 5.7 ttp -45.16 -48.73 12.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.559 ' NE ' ' CD1' ' A' ' 70' ' ' TYR . 11.9 mtp180 -56.82 -41.77 78.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -69.94 -19.16 63.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 2.7 m-80 -88.88 -47.41 8.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.83 HG11 ' HG3' ' A' ' 71' ' ' PRO . 37.9 t -43.89 132.45 4.1 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 151.66 39.94 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.461 1.769 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -64.42 -33.91 76.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -71.28 -7.8 49.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.1 m -112.6 -20.37 11.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.559 ' CD1' ' NE ' ' A' ' 57' ' ' ARG . 27.7 m-85 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.498 0.19 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.83 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.99 131.22 14.06 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.799 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.5 mt -87.33 151.42 51.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.513 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.1 Cg_endo -75.04 167.93 25.92 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.45 1.763 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.513 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.02 155.78 99.94 Favored 'Cis proline' 0 C--N 1.361 1.196 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.006 0.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -125.93 110.32 13.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.371 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.558 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.6 mp -83.62 138.86 18.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.568 ' CE1' ' HG3' ' A' ' 56' ' ' MET . 11.3 m-85 -145.39 129.47 17.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.521 ' O ' ' N ' ' A' ' 80' ' ' SER . 20.2 t-20 -84.93 96.83 9.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 65.93 -61.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -145.18 -38.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.05 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.47 163.23 21.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.496 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 14.6 t80 -97.51 149.11 22.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -119.04 -55.68 2.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.496 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 171.01 -174.14 44.74 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.2 p-10 -113.56 177.69 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.275 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.545 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -40.21 -35.46 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 111.056 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.94 -54.34 46.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.37 -34.23 77.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -61.85 -50.78 70.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -60.85 -49.47 77.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -56.27 -54.51 44.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.252 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.29 -23.83 25.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.427 ' N ' HG23 ' A' ' 98' ' ' VAL . 15.4 ttp180 -77.49 -54.4 6.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.75 -37.75 63.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -85.84 9.95 15.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 42.42 57.55 3.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -143.87 17.8 1.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.523 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -48.06 -58.65 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.503 ' N ' HG12 ' A' ' 98' ' ' VAL . 10.0 m-85 -40.98 -45.5 2.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.88 95.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 98' ' ' VAL . 17.0 t80 -67.38 -9.33 40.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.558 ' CD2' HG21 ' A' ' 76' ' ' ILE . 27.2 mt -113.19 -1.45 14.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.85 21.2 76.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.522 HD21 HG12 ' A' ' 10' ' ' ILE . 22.7 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.6 ptt? . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.488 0.185 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.1 t -85.07 140.45 15.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.48 HG12 HD21 ' A' ' 104' ' ' LEU . 10.2 mm -105.2 104.92 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 77' ' ' PHE . 34.2 mtt180 -101.22 129.68 47.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.6 t -116.31 133.3 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 7.5 m-85 -103.2 98.64 8.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.0 pt -105.12 169.97 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.13 65.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.995 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.14 -57.25 4.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.0 mt -51.32 -59.88 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -43.26 -44.41 5.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -67.98 -62.37 1.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -40.75 -59.08 1.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.433 ' HB3' HG21 ' A' ' 14' ' ' ILE . 30.5 mt-30 -49.01 -46.92 44.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -65.24 -30.03 70.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -68.85 -30.7 69.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.0 t -81.68 -38.22 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.2 mt -71.54 -56.65 5.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -46.11 -43.78 13.71 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.703 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 33.6 t80 -61.06 -56.54 19.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 0.795 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.589 HD22 HG21 ' A' ' 39' ' ' ILE . 64.5 mt -58.79 -21.58 56.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -83.43 -41.84 17.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.45 -26.9 62.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -91.94 9.25 33.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm 43.28 50.15 5.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.589 HG21 HD22 ' A' ' 34' ' ' LEU . 71.7 mt -93.07 145.26 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.01 77.4 2.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.451 1.095 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 51.1 p90 -107.22 176.17 5.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.9 OUTLIER -129.8 149.97 51.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -106.57 114.91 29.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 14' ' ' ILE . 11.8 mmmt -114.78 115.38 26.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -87.07 133.39 33.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 14' ' ' ILE . 20.0 pt -107.65 -14.35 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.88 -44.18 93.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.61 -72.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -56.4 122.98 13.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.03 -56.88 3.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.477 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 9.4 pt-20 -38.88 -47.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.477 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 9.0 m-20 -54.06 -60.18 3.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.475 ' HG3' HD12 ' A' ' 46' ' ' ILE . 38.5 ttt180 -55.44 -57.45 11.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 1.3 ttmm -49.88 -68.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.588 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 89.7 t90 -43.75 -55.52 4.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 108.033 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.595 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 3.8 ttp -48.07 -46.41 33.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.428 ' NE ' ' CD1' ' A' ' 70' ' ' TYR . 9.6 mtt180 -60.46 -42.33 95.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.12 -17.02 63.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.588 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.6 m-80 -90.83 -53.11 4.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.655 HG11 ' HG3' ' A' ' 71' ' ' PRO . 25.2 t -40.56 129.63 1.8 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.39 36.61 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.47 -20.34 66.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -81.56 -9.78 59.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 m -111.35 -23.88 10.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.271 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.428 ' CD1' ' NE ' ' A' ' 57' ' ' ARG . 79.2 m-85 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.504 0.192 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.655 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.98 115.26 4.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.469 1.773 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.8 mt -74.94 149.22 85.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.512 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.03 168.04 25.7 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.559 1.821 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.512 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -74.99 170.63 71.33 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.986 0.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.497 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 56.4 mm-40 -143.09 111.35 6.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 110.29 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.561 HG21 ' CD2' ' A' ' 102' ' ' LEU . 3.2 mp -82.97 135.16 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.595 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 55.8 m-85 -141.83 128.96 20.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 80' ' ' SER . 34.1 t-20 -86.44 97.38 10.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 66.39 -66.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -141.02 -36.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.996 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.53 171.23 6.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.508 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 6.7 t80 -108.64 145.31 35.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -113.26 -59.05 2.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.508 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 175.27 176.54 43.62 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -102.39 179.65 4.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.438 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.1 t80 -41.82 -37.47 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -58.17 8.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.61 -29.63 69.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.519 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 6.8 t80 -68.94 -34.91 76.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 90' ' ' PHE . 3.3 t80 -76.28 -48.37 20.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.425 ' HA ' ' CG ' ' A' ' 94' ' ' GLU . 17.0 tt0 -56.0 -33.62 65.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . -79.25 -17.63 54.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.617 ' CA ' HG23 ' A' ' 98' ' ' VAL . 42.5 ttp180 -86.53 -51.42 6.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.425 ' CG ' ' HA ' ' A' ' 91' ' ' GLU . 0.3 OUTLIER -55.61 -34.78 65.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.357 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -88.48 9.29 24.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.339 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 47.22 53.31 10.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -142.25 24.74 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.703 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -53.1 -59.19 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.495 ' N ' HG12 ' A' ' 98' ' ' VAL . 9.7 m-85 -40.7 -45.19 2.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.87 -44.56 95.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.519 ' CE2' ' HA ' ' A' ' 89' ' ' PHE . 23.8 t80 -66.45 -8.51 26.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.561 ' CD2' HG21 ' A' ' 76' ' ' ILE . 19.4 mt -114.92 -0.83 13.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.54 18.99 74.25 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.48 HD21 HG12 ' A' ' 10' ' ' ILE . 21.8 mt . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.477 0.751 . . . . 0.0 109.274 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' A' ' 103' ' ' GLY . 90.3 mtp . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.532 0.206 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.435 ' CG1' ' OE2' ' A' ' 42' ' ' GLU . 0.9 OUTLIER -76.41 142.79 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.653 HG13 HD11 ' A' ' 104' ' ' LEU . 9.4 mm -104.66 108.32 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.451 ' NH2' ' OH ' ' A' ' 13' ' ' TYR . 26.9 mtp180 -100.58 126.7 47.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.494 HG12 HG23 ' A' ' 14' ' ' ILE . 57.7 t -113.49 126.71 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 4.0 m-85 -100.64 98.07 8.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.494 HG23 HG12 ' A' ' 12' ' ' VAL . 2.4 pt -105.29 179.65 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -126.66 67.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 15' ' ' ALA . 13.3 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.33 -57.56 2.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mt -55.14 -63.78 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -40.25 -50.52 2.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -60.57 -65.5 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HD3' ' CD1' ' A' ' 86' ' ' TYR . 31.4 mttt -40.39 -56.78 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -51.43 -52.45 46.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -63.67 -22.69 67.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 25' ' ' LYS . 1.6 t70 -76.66 -32.84 58.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.493 HG21 ' HG2' ' A' ' 74' ' ' PRO . 79.4 t -81.04 -31.24 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 78.8 mt -79.42 -54.37 5.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.64 -37.42 13.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.627 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 68.8 t80 -64.44 -58.24 6.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.703 HD22 HG21 ' A' ' 39' ' ' ILE . 22.7 mt -57.29 -19.15 20.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -86.06 -48.46 8.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.97 -30.71 70.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -88.11 2.87 51.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.588 1.18 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm 50.2 42.22 25.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.703 HG21 HD22 ' A' ' 34' ' ' LEU . 16.7 mt -83.88 152.99 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.05 81.92 1.29 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.535 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 31.0 p90 -115.75 175.66 5.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.2 mt-10 -133.41 138.15 46.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -92.62 114.65 27.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 14' ' ' ILE . 5.9 mmmt -115.06 120.43 39.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -93.45 127.52 39.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.683 HD12 ' HG3' ' A' ' 53' ' ' ARG . 18.9 pt -94.1 -21.68 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.2 50.7 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -175.12 -55.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -98.67 84.52 3.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.56 -46.75 14.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 13.6 pt-20 -40.38 -47.47 2.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 56' ' ' MET . 5.5 m-20 -61.9 -59.36 5.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.683 ' HG3' HD12 ' A' ' 46' ' ' ILE . 12.5 ttt180 -52.25 -48.31 65.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.358 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.427 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 2.9 tttp -58.93 -73.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.239 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.614 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 84.9 t90 -43.5 -52.33 6.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 108.009 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.589 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 4.9 ttp -53.79 -40.31 66.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.64 ' NE ' ' CE1' ' A' ' 70' ' ' TYR . 11.0 mtp180 -66.99 -32.3 73.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.84 -13.68 57.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.614 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.0 OUTLIER -90.03 -52.8 4.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.713 HG11 ' HG3' ' A' ' 71' ' ' PRO . 25.1 t -39.7 132.6 1.39 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.11 37.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.511 1.795 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -66.95 -13.27 61.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 110.26 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -88.56 -9.42 52.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 m -111.22 -22.97 11.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.01 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.247 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.64 ' CE1' ' NE ' ' A' ' 57' ' ' ARG . 61.5 m-85 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.439 0.161 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.713 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.96 123.68 8.09 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.53 1.805 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.3 mt -77.08 149.94 80.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.541 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.01 168.87 23.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.794 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.541 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -74.99 172.64 62.0 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.987 -2.506 . . . . 0.0 111.01 -0.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.437 ' HG2' ' HA ' ' A' ' 73' ' ' PRO . 47.0 mm-40 -143.15 110.69 5.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.341 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.675 HG21 ' CD2' ' A' ' 102' ' ' LEU . 3.3 mt -84.75 137.8 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.589 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 43.2 m-85 -143.47 128.96 19.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' A' ' 80' ' ' SER . 18.8 t-20 -84.3 96.36 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 66.06 -58.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.3 OUTLIER -148.98 -40.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.72 162.79 12.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.412 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 6.5 t80 -99.46 138.45 36.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -109.95 -62.2 1.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.35 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -179.78 -178.02 48.24 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.587 1.179 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 88' ' ' ALA . 36.2 p-10 -113.99 178.01 4.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.461 ' CD1' ' HD3' ' A' ' 26' ' ' LYS . 1.7 t80 -39.03 -36.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.33 -53.97 49.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 85' ' ' ASP . . . -64.69 -35.69 81.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.484 ' CD2' HG22 ' A' ' 30' ' ' VAL . 16.4 t80 -58.82 -47.78 83.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -64.43 -53.06 54.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -52.12 -56.62 13.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.17 -27.2 44.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.8 ttp85 -74.43 -51.51 14.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -52.01 -39.65 59.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -87.6 11.97 13.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 42.45 53.21 4.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -133.98 11.86 3.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.627 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -42.46 -62.96 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.621 ' N ' HG12 ' A' ' 98' ' ' VAL . 14.8 m-85 -41.54 -47.57 3.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.12 95.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 98' ' ' VAL . 9.2 t80 -70.1 -12.41 61.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.99 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.675 ' CD2' HG21 ' A' ' 76' ' ' ILE . 31.0 mt -111.22 2.75 17.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.402 ' O ' ' SD ' ' A' ' 8' ' ' MET . . . 66.84 15.57 64.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.653 HD11 HG13 ' A' ' 10' ' ' ILE . 17.8 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.785 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.0 ptt? . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.479 0.18 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -85.91 150.68 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 42' ' ' GLU . 11.7 mm -117.21 106.78 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.453 ' NH2' ' OH ' ' A' ' 13' ' ' TYR . 29.4 mtp180 -100.15 123.43 44.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.471 HG12 HG23 ' A' ' 14' ' ' ILE . 89.2 t -108.04 126.67 64.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 4.2 m-85 -101.01 100.41 11.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.471 HG23 HG12 ' A' ' 12' ' ' VAL . 2.6 pt -104.8 164.25 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -109.43 62.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 15' ' ' ALA . 30.2 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.04 -57.69 2.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.7 mt -55.19 -62.35 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' ILE . 38.0 mtmt -39.11 -59.51 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -54.54 -62.59 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -42.28 -58.51 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.407 ' HB3' HG21 ' A' ' 14' ' ' ILE . 31.2 mt-30 -51.5 -45.3 62.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -68.76 -22.47 64.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 25' ' ' LYS . 2.9 t70 -76.29 -31.55 58.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.468 HG21 ' HG2' ' A' ' 74' ' ' PRO . 75.8 t -81.81 -35.55 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.9 mt -74.05 -56.41 4.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -45.94 -45.56 14.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.591 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 50.7 t80 -59.51 -58.34 9.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 0.758 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.787 HD23 HD12 ' A' ' 39' ' ' ILE . 64.8 mt -55.82 -23.12 28.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -82.29 -42.25 19.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.33 -26.17 61.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -92.3 6.66 46.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm 44.26 50.23 7.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.787 HD12 HD23 ' A' ' 34' ' ' LEU . 97.0 mt -92.21 147.46 5.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.26 77.05 2.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 45.7 p90 -109.66 176.43 5.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.3 mm-40 -132.79 149.67 52.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.318 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -104.96 117.82 34.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 14' ' ' ILE . 4.8 mmmt -118.82 121.9 41.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -91.55 126.5 36.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.458 HD12 ' NE ' ' A' ' 53' ' ' ARG . 30.4 pt -97.0 -19.31 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.44 -58.26 9.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.12 -76.45 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -49.74 114.87 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.78 -53.26 6.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 52' ' ' ASN . 13.4 pt-20 -40.41 -52.16 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.42 ' ND2' ' HB3' ' A' ' 44' ' ' LYS . 14.3 m-20 -53.24 -58.98 5.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.458 ' NE ' HD12 ' A' ' 46' ' ' ILE . 45.4 ttt180 -55.05 -55.78 27.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 1.7 tttp -52.53 -68.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.607 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 76.0 t90 -44.17 -50.69 8.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 107.979 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.572 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 6.9 ttp -53.56 -49.75 67.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.572 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 81.5 mtm180 -60.67 -24.53 65.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -89.37 -22.3 22.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.607 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.5 m-80 -83.72 -48.17 10.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.842 HG11 ' HG3' ' A' ' 71' ' ' PRO . 25.3 t -40.75 133.31 1.74 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 150.0 37.8 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.53 1.805 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -66.07 -17.75 64.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -85.49 -6.76 59.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.8 m -117.86 -8.48 10.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 57' ' ' ARG . 14.6 mtt180 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 57' ' ' ARG . 30.1 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.554 0.216 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.842 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.04 135.16 18.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.4 mt -96.23 154.53 38.74 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.516 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.0 168.04 25.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.803 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.516 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -74.96 155.15 99.99 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.988 -0.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -125.28 111.63 15.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.552 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -83.9 128.11 39.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 7.9 m-85 -136.13 129.6 32.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 80' ' ' SER . 18.3 t-20 -90.12 98.45 11.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 57.49 -84.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.233 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -122.68 -4.99 8.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -101.68 166.82 10.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.437 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 19.4 t80 -111.28 151.54 28.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -119.56 -62.65 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.437 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 176.66 -170.07 42.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -113.37 -175.96 2.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 0.751 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.414 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.0 OUTLIER -44.74 -32.82 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.76 -59.51 4.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.7 -34.05 72.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.404 ' CD2' HG22 ' A' ' 30' ' ' VAL . 15.5 t80 -62.09 -52.29 64.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -61.06 -48.02 83.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -58.18 -53.25 60.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.71 -23.13 27.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.531 ' HA ' HG23 ' A' ' 98' ' ' VAL . 22.1 ttp180 -80.25 -45.19 18.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -61.1 -40.06 92.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -81.0 2.9 24.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 52.88 51.75 15.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -143.16 31.93 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.591 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -59.59 -62.18 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.281 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.55 ' N ' HG12 ' A' ' 98' ' ' VAL . 7.8 m-85 -40.17 -43.17 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.12 -44.97 86.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' A' ' 98' ' ' VAL . 17.9 t80 -64.48 -10.54 26.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.552 ' CD2' HG21 ' A' ' 76' ' ' ILE . 30.9 mt -112.48 -1.17 15.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.45 21.78 76.19 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.5 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.432 ' CE ' ' O ' ' A' ' 103' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.494 0.188 . . . . 0.0 111.018 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 t -89.86 137.98 20.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.586 HG12 HD21 ' A' ' 104' ' ' LEU . 8.4 mm -103.06 104.54 16.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -100.83 125.05 47.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.4 t -108.8 135.28 48.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 21.6 m-85 -103.08 94.76 5.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.959 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 44' ' ' LYS . 1.9 pt -104.63 -177.25 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -131.92 71.95 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.165 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 15' ' ' ALA . 6.6 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 110.023 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.62 -49.26 2.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mt -54.95 -60.99 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -41.19 -48.84 3.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -63.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -40.66 -57.91 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.421 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 29.2 mt-30 -51.76 -43.93 63.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -67.17 -21.89 65.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.254 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -79.01 -33.51 44.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.488 HG21 ' HG2' ' A' ' 74' ' ' PRO . 61.6 t -80.84 -32.36 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.2 mt -79.0 -54.59 5.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.409 1.068 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.78 -38.79 37.74 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.445 1.09 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.441 ' CE2' HG11 ' A' ' 98' ' ' VAL . 56.9 t80 -62.7 -55.65 24.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.572 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 23.9 mt -58.64 -22.72 57.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -81.64 -43.03 19.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.252 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.48 -28.07 63.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -90.0 2.5 55.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.257 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt 49.06 52.51 14.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.552 HG21 HD22 ' A' ' 34' ' ' LEU . 47.6 mt -95.62 146.73 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.55 75.07 2.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 44.5 p90 -107.95 176.35 5.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -131.24 150.65 52.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -103.29 112.4 25.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 1.135 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' ILE . 13.9 mmmt -113.39 115.0 27.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 47' ' ' ALA . 24.9 t0 -89.82 124.08 34.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.617 HD12 ' NE ' ' A' ' 53' ' ' ARG . 11.0 pt -89.98 -37.07 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.445 ' N ' ' OD1' ' A' ' 45' ' ' ASP . . . -42.86 -70.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.57 -78.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -61.05 95.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 53' ' ' ARG . 10.6 pt-20 -66.65 -53.02 38.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 15.7 pt-20 -38.34 -41.27 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -57.44 -51.22 70.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.617 ' NE ' HD12 ' A' ' 46' ' ' ILE . 20.8 ttt180 -63.12 -38.62 91.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -65.92 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.451 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 40.0 t90 -50.08 -58.01 6.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 107.986 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.578 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 3.6 ttp -51.07 -51.52 52.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.647 ' CZ ' ' CG ' ' A' ' 70' ' ' TYR . 36.4 mtt180 -47.99 -35.75 11.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.21 -49.1 24.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 31.6 m-80 -54.55 -51.69 64.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.888 HG11 ' HG3' ' A' ' 71' ' ' PRO . 44.8 t -38.83 128.82 1.17 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 151.99 40.46 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.512 1.796 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -64.96 -33.74 76.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.345 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -71.32 -7.17 45.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.8 m -116.31 -8.83 11.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.647 ' CG ' ' CZ ' ' A' ' 57' ' ' ARG . 67.7 m-85 . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.52 0.2 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.888 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.02 119.33 5.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.8 mt -73.39 149.03 88.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.519 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -74.95 168.18 25.41 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.519 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.02 167.72 79.6 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.988 0.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.438 ' HG2' ' HA ' ' A' ' 73' ' ' PRO . 59.3 mm-40 -138.31 110.8 7.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.343 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.472 HG21 HD23 ' A' ' 102' ' ' LEU . 3.0 mp -77.88 133.6 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.518 ' CE1' ' HG3' ' A' ' 56' ' ' MET . 5.0 m-85 -142.09 129.6 21.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 80' ' ' SER . 21.4 t-20 -90.25 99.51 12.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 58.37 -82.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -127.57 0.32 6.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -105.17 168.17 9.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.522 ' CD1' ' N ' ' A' ' 83' ' ' ARG . 11.7 t80 -107.39 156.98 18.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.522 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 30.6 mmm180 -128.06 -61.84 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.335 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.483 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 176.27 -174.89 47.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -105.78 -172.71 2.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 0.0 109.349 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.2 t80 -50.46 -33.73 22.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.057 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.87 -56.59 17.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.39 -31.49 71.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.473 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 28.3 t80 -66.67 -43.03 85.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -69.99 -46.74 64.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -58.11 -49.54 76.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.13 -26.22 66.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.637 ' HA ' HG23 ' A' ' 98' ' ' VAL . 19.4 ttp180 -72.98 -56.22 5.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -57.13 -33.35 67.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -85.96 9.19 17.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 42.51 57.63 3.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -147.57 21.4 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.637 HG23 ' HA ' ' A' ' 93' ' ' ARG . 1.6 t -51.01 -57.47 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -43.36 -41.7 4.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.443 ' O ' ' NH2' ' A' ' 83' ' ' ARG . . . -68.0 -38.97 83.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.473 ' CE2' ' HA ' ' A' ' 89' ' ' PHE . 11.3 t80 -71.39 -9.56 58.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.496 ' O ' HD11 ' A' ' 10' ' ' ILE . 34.1 mt -112.29 -0.03 15.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.432 ' O ' ' CE ' ' A' ' 8' ' ' MET . . . 67.34 23.75 73.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.586 HD21 HG12 ' A' ' 10' ' ' ILE . 20.4 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.743 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.464 ' CE ' ' HA3' ' A' ' 103' ' ' GLY . 12.9 mtp . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.509 0.195 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.456 HG11 ' HE ' ' A' ' 11' ' ' ARG . 1.3 t -72.75 140.78 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.587 HG13 HD11 ' A' ' 104' ' ' LEU . 9.3 mm -106.49 104.63 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.456 ' HE ' HG11 ' A' ' 9' ' ' VAL . 20.0 mtt180 -101.0 128.94 46.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.6 t -114.07 136.85 49.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 23.8 m-85 -104.35 96.37 6.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 44' ' ' LYS . 2.3 pt -104.92 -179.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -128.62 70.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' ALA . 12.5 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.563 0.22 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.9 -56.6 3.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mt -53.58 -59.3 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -41.07 -52.61 3.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -61.0 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -41.09 -58.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.422 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 30.3 mt-30 -51.46 -46.44 63.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -65.28 -24.23 67.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.323 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -74.79 -31.3 61.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.409 HG22 ' CD2' ' A' ' 89' ' ' PHE . 78.0 t -81.62 -30.14 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.1 mt -80.36 -54.13 5.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.82 -44.45 24.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.585 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 67.0 t80 -60.82 -59.18 5.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.589 HD22 HG21 ' A' ' 39' ' ' ILE . 60.9 mt -55.77 -22.23 23.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -83.79 -47.35 11.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.96 -27.79 68.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -90.32 -0.7 57.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mttt 52.29 46.57 26.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.589 HG21 HD22 ' A' ' 34' ' ' LEU . 27.0 mt -88.86 149.17 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.235 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.23 78.22 1.96 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 50.0 p90 -109.83 176.26 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 10' ' ' ILE . 2.9 mm-40 -131.69 150.32 52.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -104.21 112.15 25.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' ILE . 11.8 mmmt -113.09 117.55 32.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 24.7 t0 -90.91 126.01 35.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.497 HD12 ' HG3' ' A' ' 53' ' ' ARG . 19.4 pt -94.28 -17.66 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.49 -66.51 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.455 ' HB3' ' OD2' ' A' ' 45' ' ' ASP . . . -84.84 54.8 3.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 48' ' ' ALA . 0.5 OUTLIER 160.35 100.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 53' ' ' ARG . 1.5 pm0 -73.81 -40.91 63.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -39.2 -42.93 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 56' ' ' MET . 19.8 m-20 -70.33 -44.91 67.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.497 ' HG3' HD12 ' A' ' 46' ' ' ILE . 4.2 ttp180 -65.14 -45.64 84.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.17 . . . . 0.0 110.337 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 1.2 ttmm -60.96 -66.35 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.42 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 48.2 t90 -47.41 -59.95 2.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.574 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 7.0 ttp -45.8 -47.53 15.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.642 ' NE ' ' CE1' ' A' ' 70' ' ' TYR . 12.2 mtp180 -58.48 -36.38 73.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.18 -26.61 61.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -82.06 -53.04 6.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.806 HG11 ' HG3' ' A' ' 71' ' ' PRO . 51.3 t -40.87 128.0 1.95 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 152.7 41.27 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.558 1.82 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -64.1 -30.36 71.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.243 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.03 -13.06 61.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.461 ' OG ' ' CZ ' ' A' ' 82' ' ' TYR . 3.7 m -105.75 -25.33 12.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.642 ' CE1' ' NE ' ' A' ' 57' ' ' ARG . 70.8 m-85 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.452 0.168 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.806 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.98 114.58 4.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.543 1.812 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.6 mt -72.37 149.96 91.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.51 ' HA ' ' C ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.04 167.35 27.21 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -75.02 168.78 76.42 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.989 -2.504 . . . . 0.0 111.019 0.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.43 ' HG2' ' HA ' ' A' ' 73' ' ' PRO . 63.0 mm-40 -139.45 111.31 7.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.631 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.8 mp -78.0 129.95 36.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.571 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 1.1 m-85 -138.65 129.74 26.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 80' ' ' SER . 24.4 t-20 -94.44 98.68 11.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 58.24 -81.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -130.8 5.43 4.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.046 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.9 165.17 11.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.48 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 3.1 t80 -110.67 148.49 32.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.42 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 27.7 mmm180 -120.13 -59.2 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.417 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 177.82 -174.32 46.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.133 . . . . 0.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -108.68 -174.98 2.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.442 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.1 t80 -45.66 -34.93 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.1 -56.76 15.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.31 -32.33 72.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.506 ' HB2' HD11 ' A' ' 76' ' ' ILE . 8.8 t80 -64.15 -40.36 95.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -73.29 -49.93 24.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -54.49 -55.33 30.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.42 -27.0 33.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.638 ' HA ' HG23 ' A' ' 98' ' ' VAL . 35.0 ttp180 -77.38 -43.11 33.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.256 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.47 -37.02 82.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.239 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -86.43 10.92 13.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.1 m120 44.36 58.75 3.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -150.3 27.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.638 HG23 ' HA ' ' A' ' 93' ' ' ARG . 1.4 t -55.51 -61.24 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.462 ' N ' HG12 ' A' ' 98' ' ' VAL . 27.5 m-85 -41.85 -42.84 2.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.84 -41.95 91.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 98' ' ' VAL . 18.3 t80 -67.94 -11.28 58.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.631 ' CD2' HG21 ' A' ' 76' ' ' ILE . 31.3 mt -112.27 1.15 15.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.464 ' HA3' ' CE ' ' A' ' 8' ' ' MET . . . 69.49 14.18 69.09 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.452 1.095 . . . . 0.0 110.963 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.587 HD11 HG13 ' A' ' 10' ' ' ILE . 19.0 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.8 mtm . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.518 0.199 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 t -80.85 136.16 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.687 HG12 HD21 ' A' ' 104' ' ' LEU . 8.7 mm -100.81 105.41 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 77' ' ' PHE . 40.4 mtt180 -101.28 126.73 48.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.7 t -113.12 133.79 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.424 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 23.4 m-85 -101.9 98.74 8.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.1 pt -105.11 166.09 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -113.14 63.65 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 15' ' ' ALA . 41.1 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.7 -52.6 17.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.411 HG22 ' NE2' ' A' ' 27' ' ' GLN . 4.0 mt -60.67 -59.54 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -40.07 -57.29 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -57.8 -61.73 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -41.07 -58.67 1.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.411 ' NE2' HG22 ' A' ' 23' ' ' ILE . 31.2 mt-30 -52.18 -52.42 52.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -61.61 -20.59 63.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 25' ' ' LYS . 8.3 t70 -78.12 -33.59 50.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.455 HG22 ' CD2' ' A' ' 89' ' ' PHE . 75.0 t -81.33 -32.92 12.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.68 -53.13 7.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.97 -38.1 30.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.557 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 50.5 t80 -64.09 -52.48 59.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.604 HD22 HG21 ' A' ' 39' ' ' ILE . 35.0 mt -63.6 -17.65 63.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -87.65 -43.01 12.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.9 -31.0 65.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -88.39 2.28 52.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt 49.05 54.76 10.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.604 HG21 HD22 ' A' ' 34' ' ' LEU . 51.0 mt -96.26 149.74 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.93 74.59 2.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 37.9 p90 -108.12 176.17 5.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 0.718 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.6 mm-40 -131.18 150.45 52.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -105.29 110.26 22.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 14' ' ' ILE . 10.9 mmmt -109.99 117.83 34.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.67 130.56 34.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.576 HD12 ' CD ' ' A' ' 53' ' ' ARG . 9.0 pt -104.1 -18.04 6.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.63 -70.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.95 -78.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.96 117.33 2.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.93 -51.36 8.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 52' ' ' ASN . 11.7 pt-20 -40.64 -51.32 3.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 9.6 m-20 -54.11 -54.12 43.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.576 ' CD ' HD12 ' A' ' 46' ' ' ILE . 34.4 ttt180 -59.27 -54.39 47.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.17 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 55' ' ' TRP . 4.4 tttp -55.19 -65.31 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.603 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 89.0 t90 -41.44 -55.11 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.569 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 1.7 ttp -53.41 -43.77 68.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.454 ' O ' ' NH2' ' A' ' 65' ' ' ARG . 16.4 mtp180 -62.27 -21.19 65.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.275 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -95.41 -19.3 20.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 110.271 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.603 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.7 m-80 -84.43 -51.14 7.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.722 HG11 ' HG3' ' A' ' 71' ' ' PRO . 40.6 t -39.82 132.87 1.42 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 60' ' ' VAL . 18.5 Cg_endo -74.95 150.34 38.26 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -66.07 -17.21 64.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.167 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -85.36 -8.61 58.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.456 ' HG ' ' HE1' ' A' ' 82' ' ' TYR . 8.7 m -117.33 -8.67 11.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.037 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.455 ' HG3' HG12 ' A' ' 60' ' ' VAL . 21.3 mtt180 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.447 ' CD1' ' HG2' ' A' ' 57' ' ' ARG . 35.5 m-85 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.491 0.186 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.722 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.5 Cg_endo -74.97 131.8 14.74 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.782 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.718 ' O ' HD12 ' A' ' 72' ' ' LEU . 1.1 pp -92.22 155.2 42.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.238 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.511 ' HA ' ' C ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.0 166.85 28.34 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.771 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.01 160.83 95.98 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.959 -2.517 . . . . 0.0 111.003 0.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -133.91 117.81 17.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.553 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.8 mp -92.02 141.21 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.569 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 16.0 m-85 -145.92 128.76 16.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.516 ' O ' ' N ' ' A' ' 80' ' ' SER . 20.3 t-20 -83.51 96.38 8.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 65.93 -61.18 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -144.53 -39.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.003 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.83 162.11 24.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.532 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 14.6 t80 -101.0 140.95 34.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -110.07 -56.7 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.404 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 176.55 -172.18 45.15 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -117.41 -173.02 2.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.75 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.0 OUTLIER -45.56 -35.09 3.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.949 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.27 -54.77 39.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.85 82.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.455 ' CD2' HG22 ' A' ' 30' ' ' VAL . 34.9 t80 -59.15 -47.77 84.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -64.67 -51.95 59.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.048 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -53.42 -57.14 11.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.479 ' HB1' ' HA ' ' A' ' 98' ' ' VAL . . . -52.58 -27.2 15.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.441 ' N ' HG23 ' A' ' 98' ' ' VAL . 7.6 ttp180 -75.29 -51.89 12.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -51.88 -40.11 60.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -87.74 12.79 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 40.66 54.52 3.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -138.37 15.27 2.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.557 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -45.44 -54.61 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.469 ' N ' HG12 ' A' ' 98' ' ' VAL . 11.0 m-85 -45.26 -46.73 12.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.12 96.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -69.97 -10.89 60.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.553 ' CD2' HG21 ' A' ' 76' ' ' ILE . 29.0 mt -112.47 1.74 16.05 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 67.99 15.79 67.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.107 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.687 HD21 HG12 ' A' ' 10' ' ' ILE . 19.4 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.75 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.4 ptt? . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.515 0.198 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 t -88.62 145.73 7.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.44 1.088 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.643 HG12 HD21 ' A' ' 104' ' ' LEU . 14.5 mm -115.09 105.77 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 -100.91 126.31 47.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.469 HG12 HG23 ' A' ' 14' ' ' ILE . 61.4 t -109.59 132.28 58.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.584 ' HD2' HG22 ' A' ' 46' ' ' ILE . 27.9 m-85 -100.75 96.61 7.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.469 HG23 HG12 ' A' ' 12' ' ' VAL . 2.3 pt -104.96 -177.65 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.439 ' N ' ' OE1' ' A' ' 27' ' ' GLN . . . -128.98 68.61 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' ALA . 15.5 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.95 -56.7 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.6 mt -50.23 -60.64 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ILE . 37.7 mtmt -39.56 -60.64 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.08 -61.16 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -43.02 -58.28 2.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.439 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 30.8 mt-30 -52.13 -49.52 63.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -63.11 -21.96 66.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -76.96 -34.02 57.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.432 HG21 ' HG2' ' A' ' 74' ' ' PRO . 54.4 t -81.63 -33.42 12.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.02 -53.52 6.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -51.36 -39.31 43.52 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.666 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 30.7 t80 -63.44 -53.86 45.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.606 HD22 HG21 ' A' ' 39' ' ' ILE . 34.7 mt -60.52 -21.39 62.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -83.34 -43.95 15.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.14 -28.19 65.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -90.09 3.68 52.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt 47.68 51.28 14.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.606 HG21 HD22 ' A' ' 34' ' ' LEU . 38.8 mt -92.62 150.0 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.45 71.25 2.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 32.0 p90 -105.91 176.34 5.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 0.775 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.5 mm-40 -132.0 151.42 51.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -103.91 111.95 24.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 14' ' ' ILE . 14.6 mmmt -112.29 116.79 30.96 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.508 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 12.5 t70 -90.9 120.03 31.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.584 HG22 ' HD2' ' A' ' 13' ' ' TYR . 11.8 pt -89.06 -28.17 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.44 -66.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.508 ' HB3' ' OD2' ' A' ' 45' ' ' ASP . . . -93.08 57.07 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.355 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 50' ' ' GLU . 8.2 t-20 174.52 56.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 49' ' ' ASN . 2.0 mt-10 -37.91 -48.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.267 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 18.0 pt-20 -42.89 -52.47 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.448 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 7.9 m-20 -53.04 -46.09 68.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.57 ' CD ' HD12 ' A' ' 46' ' ' ILE . 29.5 ttt180 -67.86 -41.26 83.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.76 -62.04 2.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.448 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 31.6 t90 -54.46 -61.59 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 108.015 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.568 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 3.2 ttp -45.28 -50.59 11.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 111.041 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.651 ' NE ' ' CD1' ' A' ' 70' ' ' TYR . 36.6 mtt180 -49.6 -46.85 49.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.38 -48.29 82.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.354 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 33.8 m-80 -58.3 -58.46 8.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.738 HG11 ' HG3' ' A' ' 71' ' ' PRO . 55.0 t -38.37 122.59 1.1 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 150.22 38.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.475 1.776 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -58.18 -41.4 83.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -60.02 -22.25 62.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.493 ' OG ' ' CE1' ' A' ' 82' ' ' TYR . 1.4 m -97.34 -25.73 15.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.266 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.651 ' CD1' ' NE ' ' A' ' 57' ' ' ARG . 82.4 m-85 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.511 0.196 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.738 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.99 115.91 4.43 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 72' ' ' LEU . 30.6 mt -77.32 150.3 79.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.513 ' HA ' ' C ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -74.95 167.33 27.31 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.455 1.766 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.0 155.62 99.97 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.989 0.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -128.27 110.51 12.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.544 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -78.79 135.5 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.558 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 1.3 m-85 -145.33 129.86 17.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 80' ' ' SER . 23.0 t-20 -94.02 98.66 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 58.82 -81.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.251 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -131.32 5.12 4.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.028 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.63 164.45 12.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.493 ' CE1' ' OG ' ' A' ' 64' ' ' SER . 39.7 t80 -109.36 145.03 36.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -115.61 -52.82 2.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.475 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 169.63 -166.34 39.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -117.72 -178.36 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.1 t80 -42.41 -34.93 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -61.06 -55.76 28.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.35 -36.15 81.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.441 ' HB2' HD11 ' A' ' 76' ' ' ILE . 21.9 t80 -58.84 -48.51 81.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -64.19 -51.82 61.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -53.75 -51.39 63.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.26 -23.27 63.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.445 ' CA ' HG23 ' A' ' 98' ' ' VAL . 23.5 ttp85 -79.14 -56.5 4.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.445 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 1.6 mm-40 -54.44 -35.39 62.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -87.51 12.52 12.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 40.14 63.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.72 23.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.163 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.666 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 1.2 t -56.05 -58.88 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.444 ' N ' HG12 ' A' ' 98' ' ' VAL . 18.8 m-85 -43.16 -45.41 5.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.31 -37.0 82.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 98' ' ' VAL . 14.6 t80 -72.85 -12.0 60.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.552 1.158 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.544 ' CD2' HG21 ' A' ' 76' ' ' ILE . 45.5 mt -110.89 1.67 17.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 66.22 19.8 68.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.643 HD21 HG12 ' A' ' 10' ' ' ILE . 22.8 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.525 0.78 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ptt? . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.482 0.182 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -86.15 138.08 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.577 HG12 HD21 ' A' ' 104' ' ' LEU . 9.6 mm -102.41 105.13 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -101.13 123.41 45.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -108.18 128.5 63.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.442 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 10.5 m-85 -99.51 100.02 10.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.0 pt -105.2 174.52 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -119.53 63.82 0.8 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' ALA . 31.4 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.95 -44.63 40.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.418 HG22 ' NE2' ' A' ' 27' ' ' GLN . 4.1 mt -63.79 -57.89 9.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -40.05 -51.52 2.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' ASP . 1.9 ttmt -59.09 -64.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.2 mttp -41.05 -58.37 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.418 ' NE2' HG22 ' A' ' 23' ' ' ILE . 30.0 mt-30 -52.62 -49.4 65.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -63.09 -25.64 68.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 25' ' ' LYS . 3.8 t70 -73.37 -32.59 64.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.413 HG21 ' HG2' ' A' ' 74' ' ' PRO . 94.5 t -80.47 -32.15 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.3 mt -78.54 -54.38 6.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.43 -40.76 39.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.438 1.087 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.498 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 50.3 t80 -63.89 -50.82 67.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.631 HD22 HG21 ' A' ' 39' ' ' ILE . 51.8 mt -65.22 -23.16 67.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.117 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -82.29 -44.91 15.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.1 -32.87 74.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -87.67 3.66 47.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt 47.58 53.47 11.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.631 HG21 HD22 ' A' ' 34' ' ' LEU . 36.4 mt -92.86 149.84 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.82 71.06 2.82 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.14 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 45.0 p90 -103.72 176.34 5.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.1 mm-40 -131.15 150.96 51.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -106.06 116.44 31.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' ILE . 11.9 mmmt -116.96 117.83 30.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -87.91 137.32 32.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 14' ' ' ILE . 13.4 pt -112.65 -9.07 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.78 -53.35 18.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.94 -72.54 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.31 121.71 12.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.7 -51.8 6.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 15.0 pt-20 -39.81 -47.49 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.474 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 9.0 m-20 -55.66 -56.6 18.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.449 ' HG3' HD12 ' A' ' 46' ' ' ILE . 28.7 ttt180 -57.6 -53.66 55.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -55.43 -64.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.457 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 60.3 t90 -44.96 -62.34 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 108.005 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.572 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 9.2 ttp -42.96 -54.25 4.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.561 ' CZ ' ' CD2' ' A' ' 70' ' ' TYR . 28.6 mtt180 -48.41 -47.0 38.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.46 -37.3 77.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 25.6 m-80 -69.89 -54.48 13.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.864 HG11 ' HG3' ' A' ' 71' ' ' PRO . 67.2 t -38.84 127.86 1.18 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.73 42.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.93 -42.92 99.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 110.339 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -60.82 -15.54 31.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 m -104.53 -26.17 12.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.561 ' CD2' ' CZ ' ' A' ' 57' ' ' ARG . 70.2 m-85 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.5 0.19 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.864 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.01 133.82 17.05 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.494 1.786 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.779 ' O ' HD12 ' A' ' 72' ' ' LEU . 1.1 pp -86.56 152.59 54.82 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.505 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.02 167.23 27.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.466 1.771 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.505 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.03 161.84 94.04 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.971 0.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -129.06 110.21 11.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.414 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -83.9 139.29 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.572 ' CE1' ' HG3' ' A' ' 56' ' ' MET . 12.0 m-85 -148.16 129.17 14.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 80' ' ' SER . 24.1 t-20 -86.49 96.55 10.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 66.83 -60.3 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.266 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -147.94 -37.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.22 166.47 11.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.551 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 17.9 t80 -103.6 137.84 41.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -108.6 -52.03 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.551 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 169.11 -170.81 42.73 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.7 p-10 -113.24 -174.3 2.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 0.799 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.522 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -49.17 -34.27 14.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.95 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.53 -57.67 10.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.0 -32.01 71.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -65.16 -45.04 86.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -67.26 -50.54 60.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -52.73 -55.16 24.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.65 -25.48 39.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.674 ' HA ' HG23 ' A' ' 98' ' ' VAL . 23.0 ttp85 -76.73 -41.7 44.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -66.37 -35.22 79.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -86.24 9.9 16.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 15.5 m120 45.18 59.65 3.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -152.08 26.72 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.674 HG23 ' HA ' ' A' ' 93' ' ' ARG . 1.4 t -54.36 -57.19 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -42.27 -42.57 3.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.45 -41.27 93.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 98' ' ' VAL . 24.6 t80 -69.81 -8.66 50.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.476 ' O ' HD11 ' A' ' 10' ' ' ILE . 22.4 mt -115.42 0.5 13.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 65.87 24.86 71.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.577 HD21 HG12 ' A' ' 10' ' ' ILE . 22.5 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 mtp . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.512 0.196 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 t -90.32 132.34 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.595 HG12 HD21 ' A' ' 104' ' ' LEU . 7.2 mm -97.6 104.43 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -100.77 125.65 47.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.1 t -110.2 138.22 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.356 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.512 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 24.6 m-85 -106.22 94.52 5.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 46' ' ' ILE . 1.9 pt -104.77 -177.75 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' A' ' 47' ' ' ALA . . . -132.74 74.06 1.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.506 ' C ' ' O ' ' A' ' 15' ' ' ALA . 2.7 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.08 -49.81 2.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mt -62.13 -57.52 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -41.35 -45.71 3.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.26 -66.01 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -39.86 -56.86 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.448 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 28.9 mt-30 -53.13 -48.5 67.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -64.04 -19.91 65.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -78.83 -33.26 46.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.0 t -81.87 -33.75 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -77.37 -55.34 5.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.47 -39.91 37.97 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.514 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 50.4 t80 -62.22 -51.57 67.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.773 HD23 HD12 ' A' ' 39' ' ' ILE . 54.6 mt -63.03 -24.91 68.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -79.84 -41.48 26.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.93 -31.01 65.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -88.93 9.46 24.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt 42.27 51.31 4.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.773 HD12 HD23 ' A' ' 34' ' ' LEU . 96.7 mt -93.54 149.49 4.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.88 83.02 1.54 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 40.9 p90 -117.04 175.99 5.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 0.799 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.6 mt-10 -132.5 141.76 48.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -95.03 117.8 30.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 14' ' ' ILE . 14.0 mmmt -118.82 117.63 29.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -87.79 136.56 32.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.715 HD12 ' NE ' ' A' ' 53' ' ' ARG . 6.2 pt -107.71 -24.6 3.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.525 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -55.84 -57.87 10.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.22 -74.28 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -55.49 123.25 13.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.8 -55.1 4.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 52' ' ' ASN . 12.4 pt-20 -39.84 -52.54 2.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.423 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 8.6 m-20 -48.25 -55.47 10.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.715 ' NE ' HD12 ' A' ' 46' ' ' ILE . 40.8 ttt180 -60.6 -64.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 1.0 OUTLIER -42.02 -64.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.466 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 31.7 t90 -49.58 -61.73 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 107.984 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.591 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 15.0 ttp -38.17 -61.66 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.661 ' CD ' ' CD1' ' A' ' 70' ' ' TYR . 29.7 mtm180 -43.36 -52.26 5.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -52.31 -38.81 59.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 28.2 m-80 -70.57 -55.32 9.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.873 HG11 ' HG3' ' A' ' 71' ' ' PRO . 73.7 t -38.11 125.22 1.05 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.02 151.99 40.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -67.61 -19.81 65.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -81.53 -12.33 58.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.7 m -108.06 -22.79 12.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.9 mtt85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 110.321 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.661 ' CD1' ' CD ' ' A' ' 57' ' ' ARG . 87.7 m-85 . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.455 0.169 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.873 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.01 115.2 4.21 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.519 1.8 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.746 ' O ' HD12 ' A' ' 72' ' ' LEU . 1.5 pp -75.22 152.19 85.99 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.522 ' HA ' ' C ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.02 165.74 30.66 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -75.0 168.45 77.4 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.987 -0.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -139.19 110.53 6.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.416 1.072 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.519 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.9 mp -76.78 128.79 37.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.591 ' CE1' ' HG3' ' A' ' 56' ' ' MET . 3.4 m-85 -138.17 129.81 28.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 80' ' ' SER . 11.0 t-20 -92.91 101.06 13.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 57.39 -83.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -126.73 -0.99 6.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -101.88 173.26 6.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 18.0 t80 -112.77 149.99 32.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.448 ' HB2' HG22 ' A' ' 76' ' ' ILE . 29.8 mmm180 -121.19 -53.95 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 167.07 -168.57 40.45 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -115.61 -177.17 3.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 0.749 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.421 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 0.9 OUTLIER -45.03 -34.12 2.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.974 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.43 -59.71 4.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.82 -26.28 65.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.443 ' HB2' HD11 ' A' ' 76' ' ' ILE . 18.8 t80 -72.29 -39.89 67.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -71.69 -41.87 68.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -63.07 -45.99 89.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.54 -24.32 67.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.476 ' HA ' HG23 ' A' ' 98' ' ' VAL . 0.7 OUTLIER -72.39 -55.92 6.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.435 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 1.9 mm-40 -55.41 -36.01 65.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -81.03 2.69 25.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 49.32 39.25 15.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -131.49 32.53 4.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.233 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.514 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -59.86 -52.41 61.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -47.96 -42.36 27.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.59 -37.83 85.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.175 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -71.8 -11.93 61.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.519 ' CD2' HG21 ' A' ' 76' ' ' ILE . 36.0 mt -110.68 1.64 18.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 67.1 21.03 71.51 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.595 HD21 HG12 ' A' ' 10' ' ' ILE . 23.4 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.4 ptt? . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.481 0.181 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -82.49 144.61 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' GLU . 12.1 mm -108.15 107.73 23.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.465 ' CZ ' ' HE2' ' A' ' 44' ' ' LYS . 26.1 mtp180 -100.45 128.56 46.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.405 HG12 HG23 ' A' ' 14' ' ' ILE . 47.9 t -115.95 126.9 73.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.581 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 4.3 m-85 -100.0 99.36 10.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' LYS . 2.4 pt -105.08 177.28 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -124.19 67.28 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 15' ' ' ALA . 14.3 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.4 m . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.569 0.223 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.78 -60.59 1.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.6 mt -53.02 -60.81 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.367 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ILE . 33.2 mtmt -39.92 -50.34 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.3 OUTLIER -59.61 -65.23 0.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HG2' ' CE2' ' A' ' 86' ' ' TYR . 35.4 mttm -39.54 -55.98 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.414 ' HB3' HG21 ' A' ' 14' ' ' ILE . 27.7 mt-30 -54.2 -50.98 65.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -63.56 -21.52 66.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 25' ' ' LYS . 8.1 t0 -79.45 -34.26 41.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.516 HG21 ' HG2' ' A' ' 74' ' ' PRO . 95.3 t -79.55 -28.81 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.3 mt -82.47 -54.34 5.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.08 -39.17 26.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.614 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 35.7 t80 -64.0 -58.28 7.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.645 HD22 HG21 ' A' ' 39' ' ' ILE . 35.0 mt -56.18 -19.86 15.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -85.01 -47.18 10.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.96 -26.44 66.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -91.39 -0.86 57.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm 52.75 42.72 31.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.262 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.645 HG21 HD22 ' A' ' 34' ' ' LEU . 16.9 mt -83.57 151.34 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.4 72.97 2.29 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.548 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 38.7 p90 -106.28 175.77 5.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.4 mt-10 -134.24 139.06 45.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -93.74 114.27 26.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.465 ' HE2' ' CZ ' ' A' ' 11' ' ' ARG . 7.4 mmmt -115.24 125.45 53.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -94.75 129.78 41.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.594 HD12 ' CD ' ' A' ' 53' ' ' ARG . 13.3 pt -99.14 -13.5 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.78 -70.52 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.82 -94.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -52.63 121.78 7.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -84.98 -38.45 19.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -40.83 -41.16 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 56' ' ' MET . 11.8 m-20 -67.0 -55.94 12.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.594 ' CD ' HD12 ' A' ' 46' ' ' ILE . 26.5 ttt180 -56.54 -52.14 65.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 1.5 tttp -52.99 -71.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.621 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 87.3 t90 -43.45 -55.04 4.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 108.023 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.593 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 11.1 ttp -47.36 -49.22 24.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.697 ' CD ' ' CD1' ' A' ' 70' ' ' TYR . 45.7 mtm180 -57.1 -39.95 76.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.77 -14.51 60.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.621 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.8 m-80 -89.41 -56.16 3.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.721 HG11 ' HG3' ' A' ' 71' ' ' PRO . 54.6 t -41.54 127.55 2.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 151.27 39.41 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.429 1.752 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.41 -26.55 68.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -76.76 -7.89 56.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 m -113.07 -23.71 9.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.999 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 110.313 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.697 ' CD1' ' CD ' ' A' ' 57' ' ' ARG . 90.0 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.495 0.188 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.721 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -75.01 122.06 6.97 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.514 1.797 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.7 mt -79.98 150.48 71.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.525 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.02 168.22 25.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.525 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.96 167.92 78.97 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.023 -0.052 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.51 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 67.3 mm-40 -137.73 110.44 7.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.484 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.8 mp -83.42 137.33 21.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.593 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 57.7 m-85 -143.5 128.66 18.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 80' ' ' SER . 29.0 t-20 -85.95 96.85 9.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 78' ' ' ASN . 39.1 mt-10 66.48 -59.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 78' ' ' ASN . 1.5 t -147.41 -41.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.85 169.17 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.522 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 1.7 t80 -107.2 139.38 41.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -109.39 -56.97 2.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.421 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 173.74 -177.14 46.18 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.9 p-10 -111.19 -178.57 3.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 0.745 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.43 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -40.82 -37.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 111.001 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -60.94 -54.81 40.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.81 -33.31 74.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -64.8 -39.37 93.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 111.039 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -72.16 -48.37 43.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -56.75 -48.46 77.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.51 -21.2 66.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.476 ' HA ' HG23 ' A' ' 98' ' ' VAL . 17.6 ttp180 -77.82 -56.26 4.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.423 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 1.9 mm-40 -53.68 -35.17 60.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -86.19 10.81 13.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 40.58 54.72 2.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -142.0 17.35 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.614 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -46.61 -54.03 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -46.08 -44.92 15.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.37 -37.39 86.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -73.11 -9.83 59.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.484 ' CD2' HG21 ' A' ' 76' ' ' ILE . 28.6 mt -113.0 -0.7 14.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.64 20.44 75.69 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.437 HD11 HG13 ' A' ' 10' ' ' ILE . 22.7 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.456 0.739 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.458 ' CE ' ' HA ' ' A' ' 104' ' ' LEU . 2.0 mtp . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.487 0.184 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.492 HG13 ' OE2' ' A' ' 42' ' ' GLU . 1.6 t -92.87 130.7 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 10' ' ' ILE . 9.5 mm -98.15 105.72 17.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -101.1 124.33 46.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.345 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.9 t -109.49 137.26 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 14.7 m-85 -104.97 95.04 5.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 46' ' ' ILE . 1.9 pt -104.91 -178.93 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -130.04 73.44 1.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 15' ' ' ALA . 4.1 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 22' ' ' ALA . 2.0 m . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 21' ' ' THR . . . -39.65 -57.35 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.6 mt -53.98 -61.79 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 23' ' ' ILE . 36.1 mtmt -40.28 -53.24 2.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -55.61 -64.8 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 29' ' ' ASP . 39.8 mttm -40.82 -58.59 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.431 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 28.3 mt-30 -50.02 -39.5 41.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 25' ' ' LYS . 35.6 mt-30 -71.57 -21.73 61.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 26' ' ' LYS . 2.8 t0 -79.32 -32.31 43.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -81.35 -34.39 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.4 mt -77.47 -55.22 5.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.55 -40.55 32.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.521 ' CE2' HG11 ' A' ' 98' ' ' VAL . 62.7 t80 -63.18 -57.21 11.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.587 HD22 HG21 ' A' ' 39' ' ' ILE . 33.3 mt -57.47 -24.41 55.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -80.45 -44.66 18.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.49 -29.72 69.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -88.78 2.76 52.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 49.14 50.79 17.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.587 HG21 HD22 ' A' ' 34' ' ' LEU . 37.2 mt -92.2 145.86 7.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.76 75.6 2.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.516 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 52.5 p90 -106.97 175.81 5.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 111.024 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.492 ' OE2' HG13 ' A' ' 9' ' ' VAL . 1.3 mt-10 -130.3 138.74 50.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -92.24 114.99 27.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 14' ' ' ILE . 13.8 mmmt -115.01 115.18 26.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -89.53 127.74 35.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.631 HD11 ' HG3' ' A' ' 73' ' ' PRO . 9.2 pt -93.29 -32.83 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.34 -61.4 2.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.8 50.47 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 172.28 92.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -66.89 -51.99 48.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.444 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 15.5 pt-20 -38.16 -51.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.444 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 7.6 m-20 -57.78 -55.75 30.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -56.62 -56.29 23.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 0.8 OUTLIER -48.34 -67.66 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.459 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 87.3 t90 -47.05 -57.37 5.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 107.987 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.574 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 11.7 ttp -44.96 -46.49 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.485 ' NE ' ' CG ' ' A' ' 70' ' ' TYR . 15.3 mtt180 -60.01 -41.44 92.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.29 -16.41 62.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.459 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 2.4 m-80 -91.68 -48.23 6.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.806 HG11 ' HG3' ' A' ' 71' ' ' PRO . 19.7 t -42.84 132.56 3.03 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.487 ' HD3' ' CG ' ' A' ' 82' ' ' TYR . 18.1 Cg_endo -75.04 150.84 38.55 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.789 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -63.47 -27.67 69.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -76.3 -5.92 49.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.2 m -115.42 -12.06 11.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.012 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.485 ' CG ' ' NE ' ' A' ' 57' ' ' ARG . 83.9 m-85 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.507 0.194 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.806 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.0 119.66 5.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.788 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 47.4 mt -73.83 151.29 88.76 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.631 ' HG3' HD11 ' A' ' 46' ' ' ILE . 18.3 Cg_endo -75.0 167.46 26.99 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -75.03 173.41 58.05 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.002 0.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.426 ' HG2' ' HA ' ' A' ' 73' ' ' PRO . 53.0 mm-40 -143.78 110.43 5.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.251 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.515 HD11 ' HB2' ' A' ' 89' ' ' PHE . 2.8 mp -76.47 138.79 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.574 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 7.3 m-85 -149.03 129.48 13.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 81' ' ' GLN . 23.9 t-20 -90.12 99.2 12.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 59.77 -83.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -124.29 -10.01 7.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.996 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -96.09 161.3 14.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.28 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.508 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 2.2 t80 -102.45 150.87 22.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.48 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 30.7 mmm180 -119.51 -61.94 1.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.508 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 178.38 -171.73 44.09 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -111.09 -176.64 3.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 0.0 109.322 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.465 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 0.7 OUTLIER -47.09 -36.8 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -61.37 -52.92 62.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.5 -32.96 74.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.515 ' HB2' HD11 ' A' ' 76' ' ' ILE . 18.5 t80 -63.85 -38.99 93.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -72.7 -48.88 35.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -56.41 -54.82 41.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.91 -21.97 23.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.621 ' HA ' HG23 ' A' ' 98' ' ' VAL . 21.3 ttp180 -80.32 -45.87 17.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -58.25 -38.29 76.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.262 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -86.23 9.8 16.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 45.69 55.66 6.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -141.52 19.27 2.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.621 HG23 ' HA ' ' A' ' 93' ' ' ARG . 1.4 t -49.08 -53.76 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -51.6 -41.44 61.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.52 -27.64 65.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -83.41 -9.1 59.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.414 ' O ' HD11 ' A' ' 10' ' ' ILE . 43.2 mt -105.63 -3.55 22.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.05 14.84 76.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.458 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 5.1 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 103' ' ' GLY . 48.8 mtm . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.485 0.183 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.499 HG11 ' HE ' ' A' ' 11' ' ' ARG . 1.3 t -81.5 140.01 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.496 HG12 HD21 ' A' ' 104' ' ' LEU . 7.8 mm -103.64 104.91 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.499 ' HE ' HG11 ' A' ' 9' ' ' VAL . 24.6 mtt180 -101.46 135.1 43.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.67 136.96 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 19.9 m-85 -103.52 96.96 7.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 44' ' ' LYS . 1.9 pt -105.11 -179.62 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -128.32 70.56 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 15' ' ' ALA . 6.8 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.976 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.18 -54.61 15.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.0 mt -51.88 -59.87 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -44.2 -40.1 4.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -69.66 -65.61 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -41.03 -57.09 2.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -51.51 -44.64 62.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 110.343 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -67.25 -26.09 66.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -73.64 -29.14 62.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.512 HG21 ' HG2' ' A' ' 74' ' ' PRO . 57.6 t -83.71 -31.03 7.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.1 mt -80.56 -54.04 6.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.85 -44.82 31.59 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.51 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 49.0 t80 -59.9 -55.93 27.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 0.799 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.666 HD22 HG21 ' A' ' 39' ' ' ILE . 67.2 mt -58.11 -22.38 50.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -83.35 -45.44 13.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.5 -27.53 67.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -94.18 5.73 50.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 45.88 52.63 9.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.352 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.666 HG21 HD22 ' A' ' 34' ' ' LEU . 36.5 mt -92.47 148.5 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.43 75.3 2.34 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 49.3 p90 -108.0 176.23 5.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 0.723 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 10' ' ' ILE . 2.8 mm-40 -132.15 150.56 52.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -104.86 110.58 23.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 14' ' ' ILE . 12.7 mmmt -110.94 117.55 33.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.496 ' OD1' ' HB3' ' A' ' 47' ' ' ALA . 0.5 OUTLIER -92.8 121.94 34.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.526 HD12 ' HG3' ' A' ' 53' ' ' ARG . 15.2 pt -87.13 -28.89 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.496 ' HB3' ' OD1' ' A' ' 45' ' ' ASP . . . -51.8 -73.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.47 ' N ' ' OD2' ' A' ' 45' ' ' ASP . . . -84.26 50.15 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -179.91 91.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.29 -53.72 27.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 11.2 pt-20 -38.03 -52.31 1.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.449 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 9.1 m-20 -55.68 -54.38 44.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.526 ' HG3' HD12 ' A' ' 46' ' ' ILE . 37.9 ttt180 -58.33 -54.69 44.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.306 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.452 ' HA ' ' CZ ' ' A' ' 57' ' ' ARG . 4.4 tttt -53.01 -66.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.427 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 90.0 t90 -46.52 -60.01 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 108.028 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.581 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 11.5 ttp -44.43 -49.24 9.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.588 ' NE ' ' CE1' ' A' ' 70' ' ' TYR . 11.3 mtp180 -56.39 -42.6 78.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.15 -22.15 65.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.256 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 3.3 m-80 -85.0 -52.51 5.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.844 HG11 ' HG3' ' A' ' 71' ' ' PRO . 48.7 t -40.1 131.07 1.59 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 150.17 38.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.434 1.755 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -55.31 -47.73 75.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -56.2 -18.61 10.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -101.33 -27.11 13.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.618 ' HG3' HG12 ' A' ' 60' ' ' VAL . 4.2 mtt-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.244 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.588 ' CE1' ' NE ' ' A' ' 57' ' ' ARG . 68.0 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.512 0.196 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.844 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.05 130.88 13.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.515 1.797 . . . . 0.0 111.03 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.762 ' O ' HD12 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -84.89 153.47 60.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.513 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -74.95 167.59 26.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.513 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.04 166.03 84.34 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.988 -0.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -137.02 110.67 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.545 HG21 ' CD2' ' A' ' 102' ' ' LEU . 3.0 mt -84.36 142.22 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.581 ' CE1' ' HG3' ' A' ' 56' ' ' MET . 12.8 m-85 -147.42 129.05 15.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.513 ' O ' ' N ' ' A' ' 80' ' ' SER . 19.9 t-20 -84.68 96.5 9.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 66.78 -59.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.3 OUTLIER -147.92 -39.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -68.13 167.33 14.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.504 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 15.6 t80 -102.16 150.3 23.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -120.32 -53.63 2.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.339 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.504 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 174.45 174.6 41.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.563 1.165 . . . . 0.0 110.99 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 88' ' ' ALA . 25.7 p-10 -103.73 177.34 4.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 109.318 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -39.7 -34.84 0.27 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.48 -53.3 54.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 85' ' ' ASP . . . -65.7 -30.23 70.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -65.59 -48.73 71.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -64.89 -49.43 70.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -54.51 -54.09 45.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.26 -20.27 40.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.46 ' CA ' HG23 ' A' ' 98' ' ' VAL . 18.9 ttp180 -83.1 -41.18 18.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.44 -40.12 96.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -84.42 7.8 18.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.2 m120 47.65 58.93 4.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -145.47 20.19 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.51 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -50.36 -57.59 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.474 ' N ' HG12 ' A' ' 98' ' ' VAL . 7.9 m-85 -44.78 -41.4 6.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.81 -35.42 76.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 98' ' ' VAL . 22.2 t80 -75.61 -9.88 58.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.545 ' CD2' HG21 ' A' ' 76' ' ' ILE . 29.3 mt -112.84 2.37 15.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.4 ' O ' ' SD ' ' A' ' 8' ' ' MET . . . 67.78 16.9 68.66 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.496 HD21 HG12 ' A' ' 10' ' ' ILE . 21.0 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 109.348 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.469 0.176 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.412 ' CG1' ' OE2' ' A' ' 42' ' ' GLU . 1.3 t -88.06 133.85 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.353 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.552 HG12 HD21 ' A' ' 104' ' ' LEU . 9.3 mm -98.43 106.28 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -100.81 125.44 47.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.4 t -112.43 126.85 69.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.585 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 10.2 m-85 -98.41 100.65 11.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.451 HG21 ' HB3' ' A' ' 27' ' ' GLN . 2.8 pt -105.05 170.85 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -116.62 63.39 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 15' ' ' ALA . 32.7 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.042 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.05 -56.99 2.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.9 mt -52.65 -59.89 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 23' ' ' ILE . 28.8 mtmt -38.58 -51.82 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -64.53 -62.26 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.579 ' O ' HG23 ' A' ' 30' ' ' VAL . 46.2 mttt -39.11 -46.37 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.451 ' HB3' HG21 ' A' ' 14' ' ' ILE . 29.7 mt-30 -67.31 -42.15 84.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -65.84 -43.33 88.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 28' ' ' GLN . 15.6 t0 -60.64 -26.28 66.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 26' ' ' LYS . 54.5 t -84.45 -39.47 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.6 mt -74.03 -55.75 5.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.64 -40.25 32.28 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.508 1.13 . . . . 0.0 110.956 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.68 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 66.0 t80 -63.0 -55.25 27.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.791 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.656 HD22 HG21 ' A' ' 39' ' ' ILE . 51.3 mt -60.27 -25.38 65.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -80.6 -45.52 17.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.26 -33.04 75.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -88.73 8.55 28.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 43.71 48.13 6.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.656 HG21 HD22 ' A' ' 34' ' ' LEU . 23.2 mt -87.13 151.87 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -89.51 75.15 1.87 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.477 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 38.7 p90 -106.52 175.39 5.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.412 ' OE2' ' CG1' ' A' ' 9' ' ' VAL . 1.9 mt-10 -131.52 141.36 49.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -96.09 117.83 31.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 14' ' ' ILE . 14.8 mmmt -118.57 115.27 24.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -90.48 123.6 34.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.653 HD12 ' HG3' ' A' ' 53' ' ' ARG . 20.1 pt -91.91 -13.88 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.47 -61.87 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.15 51.95 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 170.27 101.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.67 -49.54 30.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 9.2 pt-20 -39.32 -47.6 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.464 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 11.4 m-20 -60.98 -59.6 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.653 ' HG3' HD12 ' A' ' 46' ' ' ILE . 15.8 ttt180 -52.73 -50.52 63.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 10.2 tttt -56.29 -70.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.595 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 64.6 t90 -42.81 -55.6 3.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 108.053 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.588 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 12.3 ttp -45.02 -49.67 11.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.501 ' NE ' ' CD1' ' A' ' 70' ' ' TYR . 7.7 mtp180 -59.62 -42.82 93.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.99 -21.14 66.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.595 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.8 m-80 -86.82 -48.43 8.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.786 HG11 ' HG3' ' A' ' 71' ' ' PRO . 48.1 t -46.65 133.57 8.12 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.94 151.82 40.31 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -63.08 -34.42 77.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -69.78 -8.17 45.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 m -112.12 -24.03 10.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.407 1.067 . . . . 0.0 110.287 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.501 ' CD1' ' NE ' ' A' ' 57' ' ' ARG . 36.6 m-85 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.507 0.194 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.786 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.1 Cg_endo -74.96 129.09 12.05 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.6 mt -83.26 148.71 56.68 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.505 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.01 167.59 26.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.505 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -75.0 165.83 84.9 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.013 -2.495 . . . . 0.0 111.009 0.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.532 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 45.6 mm-40 -136.91 110.72 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.792 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.8 mp -81.85 131.56 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.588 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 49.1 m-85 -138.35 128.52 25.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 80' ' ' SER . 16.8 t-20 -85.4 97.49 10.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 66.38 -61.22 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.335 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -146.21 -40.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.27 168.96 6.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.575 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 15.7 t80 -102.42 143.58 31.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -115.15 -49.25 2.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.575 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 168.37 -177.31 42.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -112.15 -171.71 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.56 ' CD1' ' HD3' ' A' ' 26' ' ' LYS . 2.2 t80 -51.62 -38.36 54.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.49 -48.97 79.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.99 -38.0 82.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -58.34 -51.79 68.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -59.37 -47.44 85.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -59.34 -48.57 81.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.03 -20.63 62.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.42 ' N ' HG23 ' A' ' 98' ' ' VAL . 11.9 ttp85 -79.64 -54.58 5.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.456 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 1.5 mm-40 -52.93 -36.9 60.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -85.87 9.81 15.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 42.41 51.05 4.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.75 19.98 2.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.68 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -49.58 -56.17 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.469 ' N ' HG12 ' A' ' 98' ' ' VAL . 5.5 m-85 -46.22 -43.81 15.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.949 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.7 86.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -72.53 -10.82 60.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.792 ' CD2' HG21 ' A' ' 76' ' ' ILE . 30.2 mt -112.7 2.85 16.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 66.32 21.32 70.22 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.552 HD21 HG12 ' A' ' 10' ' ' ILE . 21.7 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 ptt? . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.532 0.206 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.1 t -86.2 141.68 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.663 HG12 HD21 ' A' ' 104' ' ' LEU . 9.3 mm -106.61 106.14 20.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -101.12 123.22 44.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.5 t -109.04 129.67 63.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -100.76 99.16 9.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 46' ' ' ILE . 2.7 pt -104.97 169.48 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -112.98 63.66 0.64 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.138 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' ALA . 35.5 t . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 110.026 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.386 -0.228 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.66 -54.39 6.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.3 mt -53.07 -60.81 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -39.8 -51.49 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -63.71 -61.04 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -41.39 -58.97 1.7 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.41 ' HB3' HG21 ' A' ' 14' ' ' ILE . 30.1 mt-30 -51.83 -50.95 59.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -64.2 -19.04 65.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 25' ' ' LYS . 2.6 t70 -79.55 -34.88 40.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.482 HG22 ' CD2' ' A' ' 89' ' ' PHE . 79.7 t -80.42 -34.08 14.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 78.8 mt -76.16 -52.76 9.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -51.88 -38.46 46.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.605 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 48.2 t80 -63.98 -51.04 66.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 0.745 . . . . 0.0 111.058 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.644 HD23 HD12 ' A' ' 39' ' ' ILE . 39.2 mt -64.28 -19.9 65.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -86.01 -42.0 14.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.0 -31.47 66.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -86.72 0.22 55.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt 52.1 49.62 20.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.644 HD12 HD23 ' A' ' 34' ' ' LEU . 78.6 mt -91.85 155.66 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.96 75.81 1.39 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.564 1.165 . . . . 0.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 34.6 p90 -108.96 176.27 5.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.1 mm-40 -131.74 151.42 51.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -105.2 112.8 26.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.253 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 14' ' ' ILE . 12.4 mmmt -114.7 118.35 33.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -88.77 138.35 31.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 14' ' ' ILE . 20.2 pt -110.55 -15.81 9.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.08 -47.29 68.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.71 -85.77 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -55.59 124.2 16.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.23 -51.14 8.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 9.2 pt-20 -40.29 -47.99 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.488 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 7.5 m-20 -52.36 -54.23 34.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.443 ' NE ' HD12 ' A' ' 46' ' ' ILE . 37.0 ttt180 -60.96 -62.68 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -46.09 -64.97 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.483 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 68.0 t90 -44.38 -61.87 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 108.035 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.586 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 15.6 ttp -41.41 -61.66 1.01 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.687 ' CD ' ' CD1' ' A' ' 70' ' ' TYR . 28.3 mtm180 -40.39 -53.08 2.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -52.57 -44.07 65.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 26.5 m-80 -63.06 -57.05 11.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.885 HG11 ' HG3' ' A' ' 71' ' ' PRO . 73.4 t -37.41 127.47 0.86 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 148.32 34.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.475 1.776 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.441 ' HA ' ' CD ' ' A' ' 65' ' ' ARG . 12.6 pt-20 -63.86 -25.05 67.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -79.65 -4.83 53.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.2 m -120.4 -4.55 9.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.46 ' HG3' HG12 ' A' ' 60' ' ' VAL . 5.6 mtt180 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.687 ' CD1' ' CD ' ' A' ' 57' ' ' ARG . 79.8 m-85 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.504 0.192 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.885 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.97 128.41 11.48 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.546 1.813 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 72' ' ' LEU . 15.6 mt -87.21 154.14 54.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.531 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.5 Cg_endo -74.95 168.65 24.36 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.531 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -74.99 159.93 97.29 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 121.02 -2.492 . . . . 0.0 110.964 -0.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.403 ' NE2' ' O ' ' A' ' 72' ' ' LEU . 54.7 mm-40 -129.96 112.31 13.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.238 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.61 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.8 mp -88.35 138.14 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.586 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 13.8 m-85 -143.66 128.64 18.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.962 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 80' ' ' SER . 22.4 t-20 -84.02 95.77 8.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 65.79 -59.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.1 OUTLIER -148.46 -38.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.45 163.78 15.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -102.44 136.63 41.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -107.35 -56.48 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.31 -170.21 43.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.135 . . . . 0.0 110.979 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -117.88 -176.92 3.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 0.6 OUTLIER -43.96 -35.63 2.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -61.53 -55.81 26.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.5 -34.81 77.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.482 ' CD2' HG22 ' A' ' 30' ' ' VAL . 33.6 t80 -62.87 -45.24 93.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -65.71 -49.02 70.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -56.21 -52.93 62.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.416 ' HB1' ' HA ' ' A' ' 98' ' ' VAL . . . -55.24 -26.61 40.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.083 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.46 ' N ' HG23 ' A' ' 98' ' ' VAL . 0.9 OUTLIER -75.66 -52.31 10.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.281 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.66 -40.49 60.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -87.35 12.51 11.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.1 m120 41.42 63.46 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.52 22.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.605 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -53.45 -52.48 32.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.426 ' N ' HG12 ' A' ' 98' ' ' VAL . 8.7 m-85 -46.23 -47.23 18.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.31 98.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -67.87 -10.89 56.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.61 ' CD2' HG21 ' A' ' 76' ' ' ILE . 32.3 mt -111.91 -0.9 15.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 71.74 17.15 76.48 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.663 HD21 HG12 ' A' ' 10' ' ' ILE . 21.3 mt . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.498 ' CE ' ' O ' ' A' ' 103' ' ' GLY . 96.4 mtp . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.515 0.198 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -71.85 140.91 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.243 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 42' ' ' GLU . 12.6 mm -108.28 106.65 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.3 mtt-85 -100.95 131.52 46.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.848 HG13 ' O ' ' A' ' 75' ' ' GLN . 13.7 t -119.75 130.77 73.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.419 ' CD2' ' HB2' ' A' ' 56' ' ' MET . 20.5 m-85 -100.29 100.71 11.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.424 ' N ' ' O ' ' A' ' 44' ' ' LYS . 3.1 pt -105.32 161.9 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.508 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -109.06 62.4 0.6 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' ALA . 42.5 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.015 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.8 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.71 -64.08 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' LYS . 4.1 mt -51.63 -61.13 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ILE . 41.1 mtmt -40.06 -50.75 2.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -60.59 -64.77 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -42.54 -57.17 2.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -52.74 -41.13 63.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -74.76 -18.44 60.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 25' ' ' LYS . 5.7 t70 -83.58 -35.38 24.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.486 HG21 ' HG2' ' A' ' 74' ' ' PRO . 89.4 t -79.21 -31.13 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.6 mt -81.53 -51.69 8.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.71 -33.45 59.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.433 ' CE1' ' ND2' ' A' ' 37' ' ' ASN . 46.0 t80 -65.82 -56.06 13.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 0.801 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.56 HD22 HG21 ' A' ' 39' ' ' ILE . 16.3 mt -58.6 -24.13 60.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -80.34 -41.36 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.6 -26.87 62.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.433 ' ND2' ' CE1' ' A' ' 33' ' ' PHE . 35.1 m-80 -93.58 1.03 56.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 51.63 51.3 16.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.56 HG21 HD22 ' A' ' 34' ' ' LEU . 46.5 mt -95.02 148.51 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.65 77.87 2.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 48.1 p90 -108.12 176.22 5.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.9 OUTLIER -130.98 149.64 52.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 0.0 110.279 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -106.45 114.1 28.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 14' ' ' ILE . 11.1 mmmt -114.48 119.26 36.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.56 131.32 34.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.508 HD11 ' HB2' ' A' ' 15' ' ' ALA . 25.6 pt -102.93 -23.15 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.63 -73.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.87 -79.34 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -54.42 123.96 14.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 51' ' ' GLU . 1.1 tp10 -86.36 -53.21 5.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 11.2 pt-20 -38.46 -52.7 1.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.431 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 9.6 m-20 -52.57 -53.09 51.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.466 ' NE ' HD12 ' A' ' 46' ' ' ILE . 47.0 ttt180 -60.77 -58.03 10.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 0.7 OUTLIER -50.11 -67.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.603 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 82.5 t90 -43.32 -54.73 4.46 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.584 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 6.7 ttp -52.2 -49.19 64.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.565 ' HD2' ' CD1' ' A' ' 70' ' ' TYR . 77.5 mtm180 -58.22 -28.88 65.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -88.88 -15.44 34.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.287 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.603 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.0 OUTLIER -82.78 -54.99 4.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.541 HG21 ' CG ' ' A' ' 71' ' ' PRO . 92.4 t -39.86 135.68 1.28 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.519 ' HD3' ' CG ' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -74.99 149.18 36.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -64.39 -16.2 61.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.71 -12.58 53.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.516 ' HG ' ' HE1' ' A' ' 82' ' ' TYR . 2.0 m -110.67 -23.68 10.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.274 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.565 ' CD1' ' HD2' ' A' ' 57' ' ' ARG . 31.4 m-85 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.506 0.193 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.541 ' CG ' HG21 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.96 118.29 5.22 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 111.036 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.797 ' O ' HD12 ' A' ' 72' ' ' LEU . 1.5 pp -81.81 149.37 63.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.541 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -74.98 169.64 22.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.541 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.04 171.82 66.17 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.012 0.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.848 ' O ' HG13 ' A' ' 12' ' ' VAL . 42.1 mm-40 -132.34 137.45 47.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.619 HG22 ' HB2' ' A' ' 83' ' ' ARG . 3.9 mp -104.55 103.95 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.584 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 37.6 m-85 -117.6 129.0 55.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.506 ' O ' ' N ' ' A' ' 80' ' ' SER . 25.6 t-20 -89.65 96.68 10.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 78' ' ' ASN . 70.5 mt-10 67.16 -56.99 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -149.78 -39.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.962 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.54 163.47 13.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.526 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 31.1 t80 -101.76 141.72 34.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.619 ' HB2' HG22 ' A' ' 76' ' ' ILE . 26.8 mmm180 -114.47 -44.46 3.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.526 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 159.47 -179.98 34.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.133 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.5 p-10 -101.36 -171.11 1.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.425 ' CB ' ' HD2' ' A' ' 74' ' ' PRO . 0.2 OUTLIER -51.75 -42.53 62.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.417 ' N ' ' CD1' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -55.3 -43.62 75.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.49 -40.59 73.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.472 ' CD2' HG22 ' A' ' 30' ' ' VAL . 15.5 t80 -57.88 -51.65 68.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -60.52 -52.71 64.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -51.32 -56.02 15.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.72 -29.13 37.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.523 ' CA ' HG23 ' A' ' 98' ' ' VAL . 42.6 ttp180 -74.28 -48.52 27.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -52.74 -40.69 63.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -86.99 11.11 14.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 45.54 58.06 4.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -141.54 15.86 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.523 HG23 ' CA ' ' A' ' 93' ' ' ARG . 0.9 OUTLIER -45.45 -59.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.508 ' N ' HG12 ' A' ' 98' ' ' VAL . 8.0 m-85 -43.95 -44.8 7.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.32 95.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CE2' HG21 ' A' ' 76' ' ' ILE . 30.0 t80 -67.28 -11.97 58.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.585 ' CD2' HG21 ' A' ' 76' ' ' ILE . 33.0 mt -109.89 -3.21 16.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.498 ' O ' ' CE ' ' A' ' 8' ' ' MET . . . 73.8 13.57 80.51 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.448 1.092 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.8 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 p -172.93 140.77 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 0.79 . . . . 0.0 110.021 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -172.67 169.62 4.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.19 61.33 0.65 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.0 p -141.06 148.62 40.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 0.733 . . . . 0.0 110.048 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 m -62.77 139.73 58.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.031 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.78 -130.54 2.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.528 1.143 . . . . 0.0 110.955 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 38.86 85.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.494 ' CG1' ' OE2' ' A' ' 42' ' ' GLU . 1.4 t -90.44 137.37 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.566 HG12 HD21 ' A' ' 104' ' ' LEU . 7.1 mm -102.25 105.39 17.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -101.6 129.24 47.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -117.03 137.65 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.528 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 22.5 m-85 -105.25 96.99 6.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' ILE . 2.1 pt -104.88 176.88 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -124.17 69.62 1.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' ALA . 13.1 t -35.92 -53.32 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.453 ' HB3' ' HB1' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -77.61 55.39 1.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 p -100.65 179.75 4.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.968 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.81 -51.8 0.12 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.99 109.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 0.806 . . . . 0.0 110.008 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.8 m -47.39 -51.33 20.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.367 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.63 -56.29 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mt -51.3 -63.62 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -40.91 -51.35 3.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' ASP . 1.3 mptt -59.47 -63.42 1.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -40.26 -57.38 1.74 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -52.96 -47.85 67.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -66.18 -19.51 65.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 25' ' ' LYS . 7.8 t0 -78.7 -33.93 46.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.6 t -81.27 -35.58 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.23 -56.19 5.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.98 -42.48 22.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.738 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 51.0 t80 -60.27 -53.28 59.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 0.763 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.589 HD22 HG21 ' A' ' 39' ' ' ILE . 78.3 mt -61.71 -25.72 67.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -80.37 -42.82 22.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.94 -31.2 67.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -86.96 1.85 51.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 mmtm 50.95 46.78 25.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.589 HG21 HD22 ' A' ' 34' ' ' LEU . 66.7 mt -90.2 150.9 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -89.18 83.1 1.44 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 37.0 p90 -114.69 175.68 5.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.494 ' OE2' ' CG1' ' A' ' 9' ' ' VAL . 1.6 mt-10 -131.28 139.14 49.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -93.32 112.41 24.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 14' ' ' ILE . 12.7 mmmt -113.1 120.03 39.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 47' ' ' ALA . 55.0 t0 -91.04 137.29 32.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.458 HD12 ' HG3' ' A' ' 53' ' ' ARG . 18.1 pt -106.27 -26.64 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.453 ' HB1' ' HB3' ' A' ' 17' ' ' SER . . . -52.33 -62.52 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.21 -74.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.66 119.4 6.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.21 -53.81 5.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 10.2 pt-20 -39.87 -47.31 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.474 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 10.8 m-20 -55.47 -53.49 55.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.458 ' HG3' HD12 ' A' ' 46' ' ' ILE . 40.7 ttt180 -61.25 -53.96 50.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -55.86 -65.88 0.52 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.6 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 89.0 t90 -44.17 -58.77 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 107.98 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.546 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 4.7 ttp -48.09 -46.47 33.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.603 ' NH2' ' CD2' ' A' ' 70' ' ' TYR . 14.3 mtt180 -59.07 -39.96 83.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.71 -15.29 61.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.6 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.6 m-80 -91.5 -49.87 6.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.778 HG11 ' HG3' ' A' ' 71' ' ' PRO . 25.0 t -41.07 133.43 1.86 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.31 39.47 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 111.035 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -62.47 -42.53 99.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.2 -15.14 31.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.8 m -105.9 -25.22 12.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.965 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.552 ' HG3' HG12 ' A' ' 60' ' ' VAL . 39.7 mtp85 -61.98 145.14 93.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -166.79 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.493 1.786 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.413 ' O ' ' HB ' ' A' ' 68' ' ' THR . . . -65.2 -48.17 74.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 67' ' ' ALA . 2.3 t -177.84 135.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.14 32.7 1.62 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.603 ' CD2' ' NH2' ' A' ' 57' ' ' ARG . 87.4 m-85 56.3 162.14 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.535 0.785 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.778 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.01 128.13 11.23 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.2 mt -81.93 152.0 68.1 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.354 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.525 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -74.95 168.26 25.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.525 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.1 Cg_endo -75.07 167.25 81.01 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.953 0.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.4 ' HG2' ' HA ' ' A' ' 73' ' ' PRO . 62.6 mm-40 -138.37 111.34 7.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.668 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -85.52 138.11 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.546 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 12.6 m-85 -144.93 128.7 17.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 80' ' ' SER . 22.7 t-20 -83.86 96.45 8.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 65.73 -59.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 78' ' ' ASN . 3.7 t -145.81 -39.81 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.13 161.3 22.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.522 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 6.0 t80 -98.07 145.97 26.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 111.058 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -115.52 -55.76 2.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.522 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 170.75 179.0 41.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.145 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 88' ' ' ALA . 25.6 p-10 -108.63 176.94 4.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.421 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.0 OUTLIER -37.88 -36.08 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 110.945 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -63.23 -55.0 28.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 85' ' ' ASP . . . -64.33 -28.61 69.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -68.02 -51.98 40.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -60.61 -47.5 85.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -55.46 -50.7 69.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.23 -25.57 67.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.633 ' HA ' HG23 ' A' ' 98' ' ' VAL . 25.6 ttp85 -73.14 -55.89 5.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.452 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 1.6 mm-40 -53.71 -35.3 61.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.143 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -84.71 7.72 19.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.8 m120 45.54 48.16 11.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -139.37 31.04 2.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.738 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 1.4 t -60.13 -55.44 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -46.09 -40.35 10.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.54 -36.55 78.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -73.98 -10.02 59.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.668 ' CD2' HG21 ' A' ' 76' ' ' ILE . 31.3 mt -112.64 2.32 16.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 67.77 18.2 70.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.163 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.566 HD21 HG12 ' A' ' 10' ' ' ILE . 23.7 mt -91.68 -174.85 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 51.5 m -113.3 149.45 33.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -100.27 148.25 34.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -74.98 147.12 33.57 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.4 Cg_endo -75.06 109.11 2.87 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.477 1.777 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 125.03 -23.31 6.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.86 173.69 6.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.763 . . . . 0.0 110.015 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.92 -21.48 62.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -73.2 -25.74 60.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -97.39 -38.21 9.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.5 -62.54 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 75.1 t 41.28 89.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.9 t -156.61 107.3 2.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.003 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 168.48 153.69 8.4 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 165.22 31.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.2 t 53.32 100.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.0 p -153.46 126.47 8.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.958 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 t -167.53 -58.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 109.968 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -42.42 149.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.29 74.45 0.02 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.1 159.5 17.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.979 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.73 104.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.968 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.7 -177.75 47.4 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 103' ' ' GLY . 73.6 mtp -128.08 85.71 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.1 t -75.71 141.29 16.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 42' ' ' GLU . 10.5 mm -105.28 105.56 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -101.43 123.61 45.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 t -107.91 128.49 63.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 19.6 m-85 -97.76 97.35 8.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 46' ' ' ILE . 2.7 pt -105.26 -178.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -126.82 65.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 17' ' ' SER . 29.9 t -38.53 125.63 1.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.4 OUTLIER 85.07 54.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.984 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 p -104.27 113.95 27.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.006 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -47.66 -43.04 21.42 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.5 m -62.09 120.59 11.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.999 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 m -65.87 -49.63 67.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.11 -53.06 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.1 mt -57.08 -63.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -40.0 -56.69 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -54.81 -60.93 2.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -43.8 -57.49 3.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.406 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 29.4 mt-30 -52.6 -46.51 67.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.26 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -70.11 -15.7 63.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 110.25 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 25' ' ' LYS . 5.0 t0 -82.28 -35.51 27.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.574 HG22 ' CD2' ' A' ' 89' ' ' PHE . 41.8 t -81.12 -34.34 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.0 mt -76.75 -55.41 5.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.237 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.27 -37.7 18.21 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.499 ' CD1' ' ND2' ' A' ' 37' ' ' ASN . 60.7 t80 -64.69 -53.65 44.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 0.755 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.625 HD22 HG21 ' A' ' 39' ' ' ILE . 26.7 mt -62.31 -17.0 57.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -88.66 -39.17 14.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.86 -28.43 55.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.499 ' ND2' ' CD1' ' A' ' 33' ' ' PHE . 26.3 m-80 -89.9 8.56 31.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm 44.99 47.59 9.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.625 HG21 HD22 ' A' ' 34' ' ' LEU . 67.1 mt -90.62 154.51 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.71 78.92 1.15 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.537 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 35.4 p90 -111.02 175.97 5.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 0.782 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.1 mm-40 -130.73 150.62 51.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -104.62 112.79 26.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 14' ' ' ILE . 13.0 mmmt -115.03 110.81 20.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.401 ' OD1' ' HB3' ' A' ' 47' ' ' ALA . 3.8 t70 -88.35 131.3 34.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.489 HD12 ' HG3' ' A' ' 53' ' ' ARG . 16.5 pt -97.44 -27.24 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.401 ' HB3' ' OD1' ' A' ' 45' ' ' ASP . . . -52.94 -60.83 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.15 57.05 1.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 169.43 93.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -70.42 -52.56 21.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.279 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 12.9 pt-20 -37.12 -47.38 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.316 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.468 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 7.0 m-20 -61.89 -50.47 72.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.489 ' HG3' HD12 ' A' ' 46' ' ' ILE . 23.9 ttt180 -62.48 -54.03 46.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 1.3 ttmm -50.53 -64.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.424 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 77.0 t90 -48.08 -62.03 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 107.983 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.564 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 6.7 ttp -45.53 -49.65 13.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.54 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 47.8 mtt180 -52.22 -42.4 63.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.73 -22.95 62.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 4.2 m-80 -83.22 -49.02 9.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.871 HG11 ' HG3' ' A' ' 71' ' ' PRO . 7.0 t -40.6 134.76 1.59 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.497 ' HD3' ' CG ' ' A' ' 82' ' ' TYR . 18.2 Cg_endo -74.98 153.97 42.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -65.67 -21.65 66.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.38 -7.73 59.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.1 t -109.18 -27.34 9.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.979 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -60.91 145.16 89.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 67' ' ' ALA . 18.3 Cg_endo -74.98 171.77 17.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.481 1.78 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' PRO . . . -40.0 -47.41 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.6 t -155.93 140.08 16.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.389 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.26 -175.87 29.87 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.54 ' CD1' ' HD3' ' A' ' 57' ' ' ARG . 58.1 m-85 -77.05 162.12 70.96 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.41 0.712 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.871 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.01 139.01 23.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.7 mt -88.82 149.56 43.95 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.526 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.03 168.43 24.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.526 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.02 164.73 87.73 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.963 -2.515 . . . . 0.0 111.023 0.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -134.42 110.44 9.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.427 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -82.96 139.02 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.547 ' CE2' ' HB2' ' A' ' 82' ' ' TYR . 11.1 m-85 -146.88 129.04 15.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.516 ' O ' ' N ' ' A' ' 80' ' ' SER . 24.7 t-20 -83.52 96.82 8.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 65.92 -62.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -143.51 -38.3 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 109.985 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.2 162.9 26.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.547 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 3.3 t80 -100.94 141.86 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -111.72 -55.12 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.506 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 176.92 -176.96 48.23 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -112.99 179.65 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -39.9 -37.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.976 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.83 -58.76 6.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.69 -31.57 70.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.574 ' CD2' HG22 ' A' ' 30' ' ' VAL . 21.1 t80 -64.73 -52.84 54.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.424 ' CE2' ' CD ' ' A' ' 94' ' ' GLU . 43.1 t80 -61.09 -49.38 77.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -54.06 -54.57 37.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.19 -22.64 30.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.648 ' HA ' HG23 ' A' ' 98' ' ' VAL . 29.9 ttp180 -81.6 -49.07 10.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.424 ' CD ' ' CE2' ' A' ' 90' ' ' PHE . 5.6 mt-10 -57.15 -36.97 71.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -86.16 9.88 16.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.9 m120 44.99 62.04 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -153.7 25.46 0.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.648 HG23 ' HA ' ' A' ' 93' ' ' ARG . 1.5 t -53.69 -58.64 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.508 ' CE2' ' HD3' ' A' ' 107' ' ' PRO . 12.1 m-85 -42.28 -41.75 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.99 90.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 98' ' ' VAL . 22.2 t80 -68.57 -10.51 56.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.427 ' CD2' HG21 ' A' ' 76' ' ' ILE . 27.2 mt -112.69 -5.18 13.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.4 ' O ' ' SD ' ' A' ' 8' ' ' MET . . . 73.82 15.06 79.65 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.441 HD11 HG13 ' A' ' 10' ' ' ILE . 22.4 mt -89.54 -174.8 4.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 44.0 m -108.15 151.84 25.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.382 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -102.92 147.26 33.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.508 ' HD3' ' CE2' ' A' ' 99' ' ' TYR . 18.2 Cg_endo -75.04 147.72 34.16 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.536 1.808 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.4 Cg_endo -75.02 110.13 3.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.79 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 123.27 -30.12 5.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.402 1.063 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.13 172.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.604 ' O ' HG23 ' A' ' 115' ' ' VAL . 5.4 tptt -63.79 -38.85 92.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -55.72 -38.96 70.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.67 -40.19 29.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -63.66 -59.47 4.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 111' ' ' LYS . 77.8 t -40.88 -49.2 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 53.36 101.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.01 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -164.67 159.26 32.23 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.521 1.138 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 141.03 26.13 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.3 p -58.88 168.36 1.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.4 t -100.24 -58.01 2.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.021 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.426 1.079 . . . . 0.0 110.978 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 m -72.07 117.77 14.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 110.036 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 t -58.25 99.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.022 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.07 59.48 0.54 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -175.08 105.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 0.749 . . . . 0.0 109.98 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -100.72 82.47 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.55 178.76 22.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.11 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.446 ' CE ' ' HA3' ' A' ' 103' ' ' GLY . 37.8 mtp -119.95 90.34 3.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.447 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 1.3 t -75.04 151.18 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.627 HG13 HD11 ' A' ' 104' ' ' LEU . 17.1 mm -118.45 104.28 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 77' ' ' PHE . 42.4 mtt180 -101.1 125.74 47.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.261 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.51 HG12 HG23 ' A' ' 14' ' ' ILE . 47.9 t -107.32 130.11 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 22.2 m-85 -99.9 95.36 6.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.51 HG23 HG12 ' A' ' 12' ' ' VAL . 3.0 pt -105.06 164.96 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.432 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -113.88 65.54 0.66 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 15' ' ' ALA . 30.3 t -37.65 138.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.046 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.32 28.67 4.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.983 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.7 t -60.31 169.38 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.051 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.97 53.87 0.56 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -173.05 100.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.957 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -41.22 -32.78 0.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.03 -57.74 10.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.419 HG22 ' NE2' ' A' ' 27' ' ' GLN . 3.9 mt -55.98 -60.05 2.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' ILE . 7.8 mtpt -39.95 -55.36 2.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.113 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -59.22 -64.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -40.59 -57.87 1.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.419 ' NE2' HG22 ' A' ' 23' ' ' ILE . 30.9 mt-30 -51.58 -57.71 8.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -57.63 -21.31 38.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 25' ' ' LYS . 5.0 t70 -78.33 -33.66 49.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.586 HG22 ' CD2' ' A' ' 89' ' ' PHE . 77.5 t -82.0 -31.83 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.457 HD11 HD13 ' A' ' 14' ' ' ILE . 87.7 mt -79.24 -54.25 6.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.235 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.52 -37.44 19.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.608 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 59.8 t80 -64.42 -53.0 55.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 0.74 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.628 HD22 HG21 ' A' ' 39' ' ' ILE . 28.7 mt -63.26 -18.78 63.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -85.22 -44.73 12.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.64 -32.49 71.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -87.3 5.1 40.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 45.27 48.07 10.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.628 HG21 HD22 ' A' ' 34' ' ' LEU . 22.5 mt -86.52 151.48 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.75 70.56 3.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.549 1.155 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 28.4 p90 -106.61 176.19 5.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 10' ' ' ILE . 2.7 mm-40 -133.64 151.21 51.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -106.32 118.42 36.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.352 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -116.26 105.23 12.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -80.61 123.11 27.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.577 HD12 ' CD ' ' A' ' 53' ' ' ARG . 22.5 pt -93.7 -11.95 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.09 50.32 1.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -175.12 -67.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -93.83 90.81 6.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -50.72 -45.26 58.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' GLU . 11.2 pt-20 -36.35 -41.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -68.91 -55.67 10.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.577 ' CD ' HD12 ' A' ' 46' ' ' ILE . 31.3 ttt180 -56.64 -46.04 81.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -58.85 -67.68 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.584 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 89.0 t90 -45.48 -53.76 8.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 108.011 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.57 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 5.8 ttp -54.87 -40.42 69.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -64.58 -32.74 74.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -83.12 -20.47 34.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.584 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.0 OUTLIER -81.41 -55.65 4.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.581 HG11 ' HG3' ' A' ' 71' ' ' PRO . 76.4 t -44.31 128.63 4.67 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 154.27 42.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.489 1.783 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -64.57 -38.09 89.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -65.91 -11.46 47.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . 32.7 m -110.45 -19.11 13.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 -65.7 163.96 30.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.417 ' C ' ' N ' ' A' ' 68' ' ' THR . 18.2 Cg_endo -75.04 164.5 33.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.573 1.828 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.33 -28.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.417 ' N ' ' C ' ' A' ' 66' ' ' PRO . 11.9 t -170.28 144.23 2.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.45 171.66 47.96 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.482 1.113 . . . . 0.0 110.984 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -61.6 161.69 19.09 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.581 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -75.02 122.79 7.41 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.557 1.82 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 72' ' ' LEU . 13.8 mt -82.3 150.24 63.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.513 ' HA ' ' C ' ' A' ' 74' ' ' PRO . 18.1 Cg_endo -75.01 167.26 27.42 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.488 1.783 . . . . 0.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 73' ' ' PRO . 18.5 Cg_endo -74.97 166.77 82.37 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.004 -2.498 . . . . 0.0 111.005 -0.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 -138.23 110.77 7.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.699 HD11 ' HB2' ' A' ' 89' ' ' PHE . 2.7 mp -76.48 127.19 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' A' ' 11' ' ' ARG . 1.8 m-85 -141.98 130.73 22.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' SER . 18.6 t-20 -102.59 98.35 8.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 62.82 -76.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.27 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -141.4 12.95 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.982 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 82' ' ' TYR . 4.1 tt0 -112.12 142.56 44.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.453 ' N ' ' HG3' ' A' ' 81' ' ' GLN . 9.9 t80 -95.82 115.22 27.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.682 HH21 ' N ' ' A' ' 103' ' ' GLY . 11.5 mmm180 -86.98 -53.1 5.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.427 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 169.43 -162.6 36.19 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.122 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -121.5 -171.43 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -44.93 -37.22 3.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.14 -55.24 34.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.65 -34.02 76.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.257 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.699 ' HB2' HD11 ' A' ' 76' ' ' ILE . 10.7 t80 -63.33 -37.53 87.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -77.27 -50.77 12.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -53.32 -56.11 19.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.66 -25.66 28.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.628 ' HA ' HG23 ' A' ' 98' ' ' VAL . 42.9 ttp85 -78.85 -44.36 23.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.58 -38.43 81.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -84.54 7.88 18.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 49.3 53.89 11.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -147.84 37.78 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.628 HG23 ' HA ' ' A' ' 93' ' ' ARG . 1.4 t -65.07 -60.01 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.451 ' N ' HG12 ' A' ' 98' ' ' VAL . 17.9 m-85 -42.79 -45.02 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.52 -41.99 96.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -67.32 -11.9 58.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.578 ' CD2' HG21 ' A' ' 76' ' ' ILE . 29.5 mt -112.7 1.89 15.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.682 ' N ' HH21 ' A' ' 83' ' ' ARG . . . 66.74 21.71 71.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.627 HD11 HG13 ' A' ' 10' ' ' ILE . 17.9 mt -97.49 -179.25 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 98.1 m -109.53 145.86 35.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 110.422 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -91.98 150.83 41.24 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.0 151.58 39.67 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.481 1.78 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.4 Cg_endo -75.04 57.36 4.57 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.798 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 170.78 39.52 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.73 -178.82 5.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 110.023 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.864 ' O ' HG13 ' A' ' 115' ' ' VAL . 0.0 OUTLIER -69.17 -36.32 77.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -60.46 -36.22 77.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -82.6 -32.22 28.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -73.16 -59.05 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.262 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.864 HG13 ' O ' ' A' ' 111' ' ' LYS . 20.2 m -40.74 102.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.47 160.12 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.168 . . . . 0.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 110.38 99.35 2.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 125.48 9.3 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.555 1.818 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.63 78.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.979 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.18 169.07 10.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.965 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.11 . . . . 0.0 111.04 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -165.86 107.43 0.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 0.733 . . . . 0.0 109.97 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.09 138.93 39.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.56 150.75 20.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.38 119.55 39.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 0.784 . . . . 0.0 109.988 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -145.46 79.14 1.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.047 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.26 -165.08 37.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -162.78 85.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.796 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.489 HG11 ' HE ' ' A' ' 11' ' ' ARG . 1.3 t -86.48 137.33 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.541 HG12 HD21 ' A' ' 104' ' ' LEU . 7.7 mm -100.85 105.13 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.489 ' HE ' HG11 ' A' ' 9' ' ' VAL . 22.8 mtt180 -101.3 127.97 47.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -113.7 130.84 67.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.405 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 29.0 m-85 -99.1 97.71 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.1 pt -105.23 168.11 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -115.6 63.65 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 17' ' ' SER . 37.2 t -37.74 128.28 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.9 OUTLIER 83.33 39.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.047 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.39 124.1 30.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.005 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -49.28 -51.66 25.53 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.33 102.61 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 110.005 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.1 m -49.25 -43.1 42.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.363 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.41 -53.53 5.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.7 mt -53.72 -58.53 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 23' ' ' ILE . 41.3 mtmt -40.36 -54.99 2.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -57.6 -62.74 1.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.456 ' HG2' ' CE2' ' A' ' 86' ' ' TYR . 24.4 mttt -40.59 -59.11 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -51.15 -49.06 61.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -63.61 -27.79 69.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 25' ' ' LYS . 17.1 t0 -70.96 -30.34 66.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.7 t -81.54 -30.76 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.1 mt -79.18 -54.24 6.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.54 -42.63 35.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.616 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 38.8 t80 -61.05 -54.84 39.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 0.771 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.583 HD23 HD12 ' A' ' 39' ' ' ILE . 43.1 mt -60.09 -25.4 65.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -79.73 -41.4 26.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.297 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.46 -25.97 60.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -91.73 4.38 52.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt 48.09 48.33 18.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.583 HD12 HD23 ' A' ' 34' ' ' LEU . 74.7 mt -92.86 146.94 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.64 74.47 2.35 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 47.9 p90 -103.73 175.95 5.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.6 mm-40 -130.56 150.4 51.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -105.11 111.22 23.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -112.26 118.83 36.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.67 132.43 35.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.63 HD12 ' HE ' ' A' ' 53' ' ' ARG . 17.1 pt -104.68 -21.63 5.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.5 -57.95 8.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.73 -86.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -43.63 114.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -54.71 5.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 9.8 pt-20 -39.45 -47.49 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.257 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.476 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 9.8 m-20 -58.17 -50.39 73.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.63 ' HE ' HD12 ' A' ' 46' ' ' ILE . 12.5 ttt180 -63.54 -53.3 54.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 110.348 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 55' ' ' TRP . 1.7 ttmm -56.51 -64.85 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.607 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 92.2 t90 -41.93 -61.57 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 107.987 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.46 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 2.2 ttp -43.69 -48.27 7.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.562 ' NE ' ' CG ' ' A' ' 70' ' ' TYR . 0.7 OUTLIER -59.0 -39.28 81.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.31 -13.32 60.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.607 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 2.1 m-80 -94.79 -51.58 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.794 HG11 ' HG3' ' A' ' 71' ' ' PRO . 16.3 t -40.22 132.22 1.6 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.42 ' HD3' ' CG ' ' A' ' 82' ' ' TYR . 18.5 Cg_endo -74.89 154.39 43.04 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -59.88 -45.11 93.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -58.12 -17.02 15.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.6 t -98.9 -30.26 12.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -62.02 147.18 90.72 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 168.81 24.01 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.535 1.808 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -40.18 -51.62 2.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.1 t -147.43 145.95 29.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.95 -173.82 36.76 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.555 1.16 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.562 ' CG ' ' NE ' ' A' ' 57' ' ' ARG . 81.5 m-85 -83.44 163.13 51.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.794 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.97 129.53 12.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.5 mt -83.41 151.1 61.74 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.525 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.03 168.4 24.89 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.525 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.1 Cg_endo -75.0 170.24 72.38 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.942 0.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -139.96 112.15 7.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.473 HG21 ' CD2' ' A' ' 102' ' ' LEU . 3.0 mp -82.35 139.05 18.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.553 ' CE1' ' HB2' ' A' ' 82' ' ' TYR . 11.4 m-85 -146.83 128.8 15.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' A' ' 80' ' ' SER . 23.2 t-20 -86.08 96.35 9.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 66.5 -59.79 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -145.78 -37.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.99 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 160.97 29.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.553 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 1.9 t80 -100.85 141.01 34.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -108.86 -59.91 1.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.462 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . -178.49 -176.13 46.15 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -110.33 -176.82 3.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.456 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 3.2 t80 -45.11 -36.94 3.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -61.47 -51.93 66.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.12 -32.21 73.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -65.57 -41.1 93.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -70.58 -46.68 63.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -58.87 -52.41 65.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.14 -23.74 56.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.54 ' HA ' HG23 ' A' ' 98' ' ' VAL . 2.6 ttp85 -75.01 -54.01 7.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -54.08 -36.76 63.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -83.02 5.59 21.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 47.71 38.79 9.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -128.57 29.55 5.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.616 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -56.82 -58.14 6.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.497 ' N ' HG12 ' A' ' 98' ' ' VAL . 9.5 m-85 -42.56 -42.35 3.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 111.011 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.71 93.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.449 ' N ' ' O ' ' A' ' 98' ' ' VAL . 18.8 t80 -70.45 -9.48 56.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.48 ' O ' HD11 ' A' ' 10' ' ' ILE . 22.6 mt -113.62 1.59 14.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 65.3 27.4 72.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.541 HD21 HG12 ' A' ' 10' ' ' ILE . 22.0 mt -101.39 -178.02 3.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 88.8 m -110.44 143.84 40.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.417 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.418 ' HB1' ' HB2' ' A' ' 112' ' ' GLU . . . -98.2 148.85 35.08 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.0 147.3 33.73 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.48 1.779 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.3 Cg_endo -74.97 119.21 5.56 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 117.04 -31.12 5.99 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.21 170.69 5.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 110.013 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.939 ' O ' HG12 ' A' ' 115' ' ' VAL . 0.0 OUTLIER -59.21 -51.49 69.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.418 ' HB2' ' HB1' ' A' ' 106' ' ' ALA . 12.0 mp0 -42.41 -46.36 4.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -72.08 -44.11 63.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -58.81 -67.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.939 HG12 ' O ' ' A' ' 111' ' ' LYS . 3.2 p -44.32 -36.47 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.1 143.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -173.81 -173.46 39.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.132 . . . . 0.0 110.998 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 169.62 22.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.524 1.802 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.71 -59.67 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.965 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.5 t -57.63 -57.55 12.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -152.64 166.66 31.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 110.023 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.82 128.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.64 175.31 23.26 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.67 115.21 9.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 110.004 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.54 150.39 28.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 110.039 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.91 120.75 2.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.3 mtm 61.21 85.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 t -80.53 136.55 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.522 HG12 HD21 ' A' ' 104' ' ' LEU . 7.6 mm -101.93 104.97 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.2 mtt-85 -101.09 123.69 45.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -107.12 129.84 60.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 16.2 m-85 -98.07 97.67 9.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.0 pt -105.18 173.55 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.53 64.69 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 17' ' ' SER . 29.5 t -38.38 122.32 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.939 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.3 OUTLIER 84.8 38.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.014 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.28 147.47 38.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.16 55.84 3.24 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.542 1.151 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -173.05 97.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.963 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.2 m -40.66 -44.91 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.409 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.4 -54.32 6.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.8 mt -59.91 -59.75 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ILE . 43.6 mtmt -40.17 -54.3 2.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.03 -63.23 1.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.545 ' HG2' ' CE2' ' A' ' 86' ' ' TYR . 22.2 mttt -40.79 -58.41 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -50.6 -45.04 57.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -66.8 -35.94 81.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -63.44 -29.28 70.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.8 t -81.46 -36.96 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.6 mt -73.82 -54.66 7.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.03 -42.46 23.31 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.523 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 56.4 t80 -62.01 -56.19 21.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.777 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.567 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 46.0 mt -59.51 -23.35 62.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -82.38 -44.47 16.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.16 -30.23 69.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -89.28 1.73 55.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 mttp 49.57 54.8 10.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.567 HG21 HD22 ' A' ' 34' ' ' LEU . 48.3 mt -96.16 148.62 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.29 71.77 2.77 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 49.9 p90 -102.39 176.32 5.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 0.788 . . . . 0.0 111.048 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.3 mm-40 -131.11 151.02 51.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -105.08 111.82 24.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -112.84 118.6 35.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -90.46 137.83 32.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.58 HD12 ' HG3' ' A' ' 53' ' ' ARG . 17.3 pt -110.56 -17.61 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.41 -54.77 23.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.72 -73.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.94 126.13 28.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -49.36 7.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 52' ' ' ASN . 16.1 pt-20 -38.39 -50.38 1.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 110.349 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.424 ' O ' ' CB ' ' A' ' 56' ' ' MET . 9.7 m-20 -53.02 -53.69 46.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.58 ' HG3' HD12 ' A' ' 46' ' ' ILE . 25.6 ttt180 -60.58 -55.53 32.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -53.4 -65.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.401 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 83.1 t90 -45.81 -60.48 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.568 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 5.7 ttp -45.16 -48.73 12.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.559 ' NE ' ' CD1' ' A' ' 70' ' ' TYR . 11.9 mtp180 -56.82 -41.77 78.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -69.94 -19.16 63.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 2.7 m-80 -88.88 -47.41 8.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.83 HG11 ' HG3' ' A' ' 71' ' ' PRO . 37.9 t -43.89 132.45 4.1 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 151.66 39.94 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.461 1.769 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -64.42 -33.91 76.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -71.28 -7.8 49.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.1 m -112.6 -20.37 11.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -65.33 143.75 98.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.453 ' HG3' ' HA ' ' A' ' 71' ' ' PRO . 18.2 Cg_endo -75.02 -162.11 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.789 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -98.19 -45.77 6.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.664 HG23 ' H ' ' A' ' 69' ' ' GLY . 0.1 OUTLIER -45.27 -80.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.392 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.664 ' H ' HG23 ' A' ' 68' ' ' THR . . . -154.97 -91.31 0.08 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.559 ' CD1' ' NE ' ' A' ' 57' ' ' ARG . 27.7 m-85 -90.59 163.25 31.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.83 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.99 131.22 14.06 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.799 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.5 mt -87.33 151.42 51.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.513 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.1 Cg_endo -75.04 167.93 25.92 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.45 1.763 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.513 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.02 155.78 99.94 Favored 'Cis proline' 0 C--N 1.361 1.196 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.006 0.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -125.93 110.32 13.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.371 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.558 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.6 mp -83.62 138.86 18.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.568 ' CE1' ' HG3' ' A' ' 56' ' ' MET . 11.3 m-85 -145.39 129.47 17.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.521 ' O ' ' N ' ' A' ' 80' ' ' SER . 20.2 t-20 -84.93 96.83 9.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 65.93 -61.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -145.18 -38.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.05 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.47 163.23 21.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.496 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 14.6 t80 -97.51 149.11 22.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -119.04 -55.68 2.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.496 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 171.01 -174.14 44.74 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.2 p-10 -113.56 177.69 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.275 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.545 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -40.21 -35.46 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 111.056 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.94 -54.34 46.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.37 -34.23 77.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -61.85 -50.78 70.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -60.85 -49.47 77.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -56.27 -54.51 44.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.252 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.29 -23.83 25.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.427 ' N ' HG23 ' A' ' 98' ' ' VAL . 15.4 ttp180 -77.49 -54.4 6.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.75 -37.75 63.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -85.84 9.95 15.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 42.42 57.55 3.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -143.87 17.8 1.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.523 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -48.06 -58.65 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.503 ' N ' HG12 ' A' ' 98' ' ' VAL . 10.0 m-85 -40.98 -45.5 2.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.88 95.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 98' ' ' VAL . 17.0 t80 -67.38 -9.33 40.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.558 ' CD2' HG21 ' A' ' 76' ' ' ILE . 27.2 mt -113.19 -1.45 14.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.85 21.2 76.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.522 HD21 HG12 ' A' ' 10' ' ' ILE . 22.7 mt -95.3 -174.75 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 97.9 m -113.31 145.6 40.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.374 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -95.65 150.98 38.18 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.05 146.62 32.67 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.811 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.3 Cg_endo -74.99 77.8 3.04 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.518 1.799 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 140.13 49.86 0.05 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 113' ' ' ALA . 0.6 OUTLIER -148.12 162.47 39.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 110.031 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.663 ' O ' HG23 ' A' ' 115' ' ' VAL . 0.5 OUTLIER -45.17 -52.55 9.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -48.36 -34.21 10.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 110' ' ' SER . . . -82.71 -46.56 13.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 115' ' ' VAL . 57.0 mm-40 -62.36 -70.41 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.251 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 111' ' ' LYS . 39.4 t 40.01 73.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 29.9 t -150.12 108.07 3.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 164.95 -167.69 38.78 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 112.31 3.53 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.47 1.774 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 76.4 p -157.49 157.79 34.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.7 p -119.6 -57.37 1.98 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.962 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -91.97 90.28 7.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 110.012 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.18 163.94 11.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.97 122.0 1.27 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.82 141.83 50.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.783 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.02 138.48 38.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.77 -155.07 6.54 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.6 ptt? -164.19 85.06 0.45 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 0.767 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.1 t -85.07 140.45 15.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.48 HG12 HD21 ' A' ' 104' ' ' LEU . 10.2 mm -105.2 104.92 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 77' ' ' PHE . 34.2 mtt180 -101.22 129.68 47.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.6 t -116.31 133.3 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 7.5 m-85 -103.2 98.64 8.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.0 pt -105.12 169.97 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.13 65.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.475 ' O ' ' CB ' ' A' ' 17' ' ' SER . 29.9 t -38.36 124.14 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 16' ' ' SER . 1.0 OUTLIER 83.61 46.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.027 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.84 125.48 33.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.87 -49.0 13.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -70.92 126.97 31.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.791 . . . . 0.0 110.041 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 m -67.84 -40.34 83.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.385 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.14 -57.25 4.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.0 mt -51.32 -59.88 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -43.26 -44.41 5.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -67.98 -62.37 1.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -40.75 -59.08 1.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.433 ' HB3' HG21 ' A' ' 14' ' ' ILE . 30.5 mt-30 -49.01 -46.92 44.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -65.24 -30.03 70.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -68.85 -30.7 69.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.0 t -81.68 -38.22 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.2 mt -71.54 -56.65 5.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -46.11 -43.78 13.71 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.703 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 33.6 t80 -61.06 -56.54 19.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 0.795 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.589 HD22 HG21 ' A' ' 39' ' ' ILE . 64.5 mt -58.79 -21.58 56.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -83.43 -41.84 17.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.45 -26.9 62.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -91.94 9.25 33.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm 43.28 50.15 5.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.589 HG21 HD22 ' A' ' 34' ' ' LEU . 71.7 mt -93.07 145.26 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.01 77.4 2.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.451 1.095 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 51.1 p90 -107.22 176.17 5.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.9 OUTLIER -129.8 149.97 51.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -106.57 114.91 29.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 14' ' ' ILE . 11.8 mmmt -114.78 115.38 26.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -87.07 133.39 33.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 14' ' ' ILE . 20.0 pt -107.65 -14.35 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.88 -44.18 93.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.61 -72.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -56.4 122.98 13.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.03 -56.88 3.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.477 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 9.4 pt-20 -38.88 -47.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.477 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 9.0 m-20 -54.06 -60.18 3.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.475 ' HG3' HD12 ' A' ' 46' ' ' ILE . 38.5 ttt180 -55.44 -57.45 11.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 1.3 ttmm -49.88 -68.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.588 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 89.7 t90 -43.75 -55.52 4.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 108.033 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.595 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 3.8 ttp -48.07 -46.41 33.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.428 ' NE ' ' CD1' ' A' ' 70' ' ' TYR . 9.6 mtt180 -60.46 -42.33 95.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.12 -17.02 63.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.588 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.6 m-80 -90.83 -53.11 4.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.655 HG11 ' HG3' ' A' ' 71' ' ' PRO . 25.2 t -40.56 129.63 1.8 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.39 36.61 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.47 -20.34 66.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -81.56 -9.78 59.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 m -111.35 -23.88 10.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -55.95 158.72 6.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.271 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.415 ' C ' ' N ' ' A' ' 68' ' ' THR . 18.3 Cg_endo -74.97 170.99 19.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 110.989 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.94 -26.25 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.415 ' N ' ' C ' ' A' ' 66' ' ' PRO . 3.2 t -175.33 147.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.65 -165.18 32.06 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.428 ' CD1' ' NE ' ' A' ' 57' ' ' ARG . 79.2 m-85 -81.12 162.55 58.92 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.459 0.741 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.655 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.98 115.26 4.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.469 1.773 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.8 mt -74.94 149.22 85.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.512 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.03 168.04 25.7 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.559 1.821 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.512 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -74.99 170.63 71.33 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.986 0.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.497 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 56.4 mm-40 -143.09 111.35 6.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 110.29 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.561 HG21 ' CD2' ' A' ' 102' ' ' LEU . 3.2 mp -82.97 135.16 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.595 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 55.8 m-85 -141.83 128.96 20.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 80' ' ' SER . 34.1 t-20 -86.44 97.38 10.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 66.39 -66.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -141.02 -36.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.996 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.53 171.23 6.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.508 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 6.7 t80 -108.64 145.31 35.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -113.26 -59.05 2.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.508 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 175.27 176.54 43.62 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -102.39 179.65 4.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.438 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.1 t80 -41.82 -37.47 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -58.17 8.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.61 -29.63 69.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.519 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 6.8 t80 -68.94 -34.91 76.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 90' ' ' PHE . 3.3 t80 -76.28 -48.37 20.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.425 ' HA ' ' CG ' ' A' ' 94' ' ' GLU . 17.0 tt0 -56.0 -33.62 65.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . -79.25 -17.63 54.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.617 ' CA ' HG23 ' A' ' 98' ' ' VAL . 42.5 ttp180 -86.53 -51.42 6.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.425 ' CG ' ' HA ' ' A' ' 91' ' ' GLU . 0.3 OUTLIER -55.61 -34.78 65.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.357 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -88.48 9.29 24.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.339 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 47.22 53.31 10.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -142.25 24.74 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.703 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -53.1 -59.19 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.495 ' N ' HG12 ' A' ' 98' ' ' VAL . 9.7 m-85 -40.7 -45.19 2.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.87 -44.56 95.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.519 ' CE2' ' HA ' ' A' ' 89' ' ' PHE . 23.8 t80 -66.45 -8.51 26.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.561 ' CD2' HG21 ' A' ' 76' ' ' ILE . 19.4 mt -114.92 -0.83 13.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.54 18.99 74.25 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.48 HD21 HG12 ' A' ' 10' ' ' ILE . 21.8 mt -93.53 -173.86 3.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 0.751 . . . . 0.0 109.274 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 54.8 m -114.16 150.1 34.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.36 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.452 ' HB1' ' HB2' ' A' ' 112' ' ' GLU . . . -101.41 146.78 32.8 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.01 147.61 34.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.1 Cg_endo -75.03 109.72 2.98 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 125.26 -27.58 5.28 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.473 1.108 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.26 175.82 3.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 0.803 . . . . 0.0 110.006 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -42.99 82.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.452 ' HB2' ' HB1' ' A' ' 106' ' ' ALA . 10.3 mp0 -52.72 -25.36 10.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -94.11 -44.26 8.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -57.17 -67.15 0.35 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 110.305 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.8 t 41.14 89.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.244 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.8 t -152.14 99.01 2.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.967 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -139.74 -156.28 6.88 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -53.55 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.3 p -166.26 165.19 17.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 29.5 t -120.48 143.49 48.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.15 . . . . 0.0 110.974 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -174.27 97.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 0.741 . . . . 0.0 109.951 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 p -145.46 149.03 33.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.973 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.35 -178.79 17.55 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -154.57 151.75 29.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.78 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -117.1 -61.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.25 178.76 32.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' A' ' 103' ' ' GLY . 90.3 mtp -131.1 84.61 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.766 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.435 ' CG1' ' OE2' ' A' ' 42' ' ' GLU . 0.9 OUTLIER -76.41 142.79 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.653 HG13 HD11 ' A' ' 104' ' ' LEU . 9.4 mm -104.66 108.32 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.451 ' NH2' ' OH ' ' A' ' 13' ' ' TYR . 26.9 mtp180 -100.58 126.7 47.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.494 HG12 HG23 ' A' ' 14' ' ' ILE . 57.7 t -113.49 126.71 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 4.0 m-85 -100.64 98.07 8.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.494 HG23 HG12 ' A' ' 12' ' ' VAL . 2.4 pt -105.29 179.65 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -126.66 67.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 15' ' ' ALA . 13.3 t -33.94 -44.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.017 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.411 ' H ' ' HB3' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -91.99 69.54 5.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.57 -171.4 1.9 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -146.34 41.1 1.01 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.544 1.152 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -156.62 111.5 2.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 110.02 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 m -46.32 -47.56 18.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.383 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.33 -57.56 2.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mt -55.14 -63.78 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -40.25 -50.52 2.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -60.57 -65.5 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HD3' ' CD1' ' A' ' 86' ' ' TYR . 31.4 mttt -40.39 -56.78 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -51.43 -52.45 46.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -63.67 -22.69 67.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 25' ' ' LYS . 1.6 t70 -76.66 -32.84 58.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.493 HG21 ' HG2' ' A' ' 74' ' ' PRO . 79.4 t -81.04 -31.24 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 78.8 mt -79.42 -54.37 5.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.64 -37.42 13.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.627 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 68.8 t80 -64.44 -58.24 6.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.703 HD22 HG21 ' A' ' 39' ' ' ILE . 22.7 mt -57.29 -19.15 20.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -86.06 -48.46 8.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.97 -30.71 70.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -88.11 2.87 51.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.588 1.18 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm 50.2 42.22 25.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.703 HG21 HD22 ' A' ' 34' ' ' LEU . 16.7 mt -83.88 152.99 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.05 81.92 1.29 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.535 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 31.0 p90 -115.75 175.66 5.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.2 mt-10 -133.41 138.15 46.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -92.62 114.65 27.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 14' ' ' ILE . 5.9 mmmt -115.06 120.43 39.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -93.45 127.52 39.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.683 HD12 ' HG3' ' A' ' 53' ' ' ARG . 18.9 pt -94.1 -21.68 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.411 ' HB3' ' H ' ' A' ' 17' ' ' SER . . . -84.2 50.7 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -175.12 -55.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -98.67 84.52 3.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.56 -46.75 14.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 13.6 pt-20 -40.38 -47.47 2.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 56' ' ' MET . 5.5 m-20 -61.9 -59.36 5.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.683 ' HG3' HD12 ' A' ' 46' ' ' ILE . 12.5 ttt180 -52.25 -48.31 65.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.358 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.427 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 2.9 tttp -58.93 -73.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.239 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.614 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 84.9 t90 -43.5 -52.33 6.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 108.009 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.589 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 4.9 ttp -53.79 -40.31 66.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.64 ' NE ' ' CE1' ' A' ' 70' ' ' TYR . 11.0 mtp180 -66.99 -32.3 73.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.84 -13.68 57.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.614 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.0 OUTLIER -90.03 -52.8 4.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.713 HG11 ' HG3' ' A' ' 71' ' ' PRO . 25.1 t -39.7 132.6 1.39 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.11 37.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.511 1.795 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -66.95 -13.27 61.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 110.26 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -88.56 -9.42 52.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 m -111.22 -22.97 11.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.01 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -55.66 157.56 7.34 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.247 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 175.51 11.14 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.779 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.402 ' O ' ' HB ' ' A' ' 68' ' ' THR . . . -54.16 -24.45 18.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 67' ' ' ALA . 8.8 t -175.08 138.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.372 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.13 173.91 43.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.64 ' CE1' ' NE ' ' A' ' 57' ' ' ARG . 61.5 m-85 -59.29 161.31 10.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.767 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.713 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.96 123.68 8.09 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.53 1.805 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.3 mt -77.08 149.94 80.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.541 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.01 168.87 23.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.794 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.541 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -74.99 172.64 62.0 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.987 -2.506 . . . . 0.0 111.01 -0.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.437 ' HG2' ' HA ' ' A' ' 73' ' ' PRO . 47.0 mm-40 -143.15 110.69 5.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.341 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.675 HG21 ' CD2' ' A' ' 102' ' ' LEU . 3.3 mt -84.75 137.8 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.589 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 43.2 m-85 -143.47 128.96 19.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' A' ' 80' ' ' SER . 18.8 t-20 -84.3 96.36 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 66.06 -58.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.3 OUTLIER -148.98 -40.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.72 162.79 12.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.412 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 6.5 t80 -99.46 138.45 36.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -109.95 -62.2 1.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.35 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -179.78 -178.02 48.24 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.587 1.179 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 88' ' ' ALA . 36.2 p-10 -113.99 178.01 4.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.461 ' CD1' ' HD3' ' A' ' 26' ' ' LYS . 1.7 t80 -39.03 -36.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.33 -53.97 49.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 85' ' ' ASP . . . -64.69 -35.69 81.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.484 ' CD2' HG22 ' A' ' 30' ' ' VAL . 16.4 t80 -58.82 -47.78 83.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -64.43 -53.06 54.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -52.12 -56.62 13.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.17 -27.2 44.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.8 ttp85 -74.43 -51.51 14.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -52.01 -39.65 59.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -87.6 11.97 13.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 42.45 53.21 4.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -133.98 11.86 3.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.627 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -42.46 -62.96 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.621 ' N ' HG12 ' A' ' 98' ' ' VAL . 14.8 m-85 -41.54 -47.57 3.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.12 95.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 98' ' ' VAL . 9.2 t80 -70.1 -12.41 61.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.99 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.675 ' CD2' HG21 ' A' ' 76' ' ' ILE . 31.0 mt -111.22 2.75 17.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.402 ' O ' ' SD ' ' A' ' 8' ' ' MET . . . 66.84 15.57 64.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.653 HD11 HG13 ' A' ' 10' ' ' ILE . 17.8 mt -91.42 -176.91 4.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.785 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 86.2 m -111.98 145.49 39.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.386 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -88.74 147.26 38.83 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.525 ' HD3' ' CE2' ' A' ' 99' ' ' TYR . 18.6 Cg_endo -74.98 147.07 33.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 111.038 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.1 Cg_endo -75.03 81.53 2.2 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.522 1.801 . . . . 0.0 110.927 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 136.64 45.23 0.09 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.451 ' H ' ' HB3' ' A' ' 113' ' ' ALA . 0.6 OUTLIER -142.35 164.79 29.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 110.004 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.86 -54.21 8.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -47.72 -39.46 17.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.451 ' HB3' ' H ' ' A' ' 110' ' ' SER . . . -77.98 -47.2 19.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -54.73 -69.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.465 ' O ' HG12 ' A' ' 115' ' ' VAL . 25.4 t 40.12 85.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.87 104.65 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.011 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -156.21 -151.53 5.96 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.533 1.146 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 58.05 4.77 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.5 1.789 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 61.6 m 46.94 76.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.049 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.86 127.77 6.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.0 110.973 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.5 p -139.28 93.35 2.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 0.749 . . . . 0.0 109.983 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.18 166.4 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.034 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.58 101.63 0.16 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.68 98.45 9.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.763 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -165.67 161.81 18.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.038 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' C ' ' CG ' ' A' ' 8' ' ' MET . . . -134.5 106.31 0.59 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.437 ' CG ' ' C ' ' A' ' 7' ' ' GLY . 3.0 ptt? 35.47 83.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 0.752 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -85.91 150.68 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 42' ' ' GLU . 11.7 mm -117.21 106.78 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.453 ' NH2' ' OH ' ' A' ' 13' ' ' TYR . 29.4 mtp180 -100.15 123.43 44.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.471 HG12 HG23 ' A' ' 14' ' ' ILE . 89.2 t -108.04 126.67 64.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 4.2 m-85 -101.01 100.41 11.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.471 HG23 HG12 ' A' ' 12' ' ' VAL . 2.6 pt -104.8 164.25 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -109.43 62.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 15' ' ' ALA . 30.2 t -37.36 135.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.42 37.49 1.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.975 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.6 t -76.7 149.52 36.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.936 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.32 59.7 2.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -177.53 101.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 m -43.52 -44.03 5.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.436 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.04 -57.69 2.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.7 mt -55.19 -62.35 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' ILE . 38.0 mtmt -39.11 -59.51 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -54.54 -62.59 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -42.28 -58.51 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.407 ' HB3' HG21 ' A' ' 14' ' ' ILE . 31.2 mt-30 -51.5 -45.3 62.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -68.76 -22.47 64.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 25' ' ' LYS . 2.9 t70 -76.29 -31.55 58.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.468 HG21 ' HG2' ' A' ' 74' ' ' PRO . 75.8 t -81.81 -35.55 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.9 mt -74.05 -56.41 4.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -45.94 -45.56 14.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.591 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 50.7 t80 -59.51 -58.34 9.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 0.758 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.787 HD23 HD12 ' A' ' 39' ' ' ILE . 64.8 mt -55.82 -23.12 28.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -82.29 -42.25 19.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.33 -26.17 61.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -92.3 6.66 46.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm 44.26 50.23 7.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.787 HD12 HD23 ' A' ' 34' ' ' LEU . 97.0 mt -92.21 147.46 5.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.26 77.05 2.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 45.7 p90 -109.66 176.43 5.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.3 mm-40 -132.79 149.67 52.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.318 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -104.96 117.82 34.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 14' ' ' ILE . 4.8 mmmt -118.82 121.9 41.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -91.55 126.5 36.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.458 HD12 ' NE ' ' A' ' 53' ' ' ARG . 30.4 pt -97.0 -19.31 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.44 -58.26 9.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.12 -76.45 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -49.74 114.87 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.78 -53.26 6.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 52' ' ' ASN . 13.4 pt-20 -40.41 -52.16 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.42 ' ND2' ' HB3' ' A' ' 44' ' ' LYS . 14.3 m-20 -53.24 -58.98 5.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.458 ' NE ' HD12 ' A' ' 46' ' ' ILE . 45.4 ttt180 -55.05 -55.78 27.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 1.7 tttp -52.53 -68.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.607 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 76.0 t90 -44.17 -50.69 8.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 107.979 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.572 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 6.9 ttp -53.56 -49.75 67.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.572 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 81.5 mtm180 -60.67 -24.53 65.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -89.37 -22.3 22.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.607 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.5 m-80 -83.72 -48.17 10.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.842 HG11 ' HG3' ' A' ' 71' ' ' PRO . 25.3 t -40.75 133.31 1.74 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 150.0 37.8 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.53 1.805 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -66.07 -17.75 64.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -85.49 -6.76 59.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.8 m -117.86 -8.48 10.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 57' ' ' ARG . 14.6 mtt180 -73.17 143.56 83.61 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.448 ' HG3' ' HA ' ' A' ' 71' ' ' PRO . 18.4 Cg_endo -75.0 -162.24 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.537 1.809 . . . . 0.0 110.973 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -109.8 -46.54 3.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.437 HG22 ' H ' ' A' ' 68' ' ' THR . 0.1 OUTLIER -48.41 -54.69 13.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.399 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -170.12 -122.94 0.66 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 57' ' ' ARG . 30.1 m-85 -75.47 167.17 39.17 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 110.954 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.842 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.04 135.16 18.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.4 mt -96.23 154.53 38.74 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.516 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.0 168.04 25.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.803 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.516 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -74.96 155.15 99.99 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.988 -0.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -125.28 111.63 15.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.552 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -83.9 128.11 39.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 7.9 m-85 -136.13 129.6 32.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 80' ' ' SER . 18.3 t-20 -90.12 98.45 11.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 57.49 -84.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.233 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -122.68 -4.99 8.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -101.68 166.82 10.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.437 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 19.4 t80 -111.28 151.54 28.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -119.56 -62.65 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.437 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 176.66 -170.07 42.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -113.37 -175.96 2.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 0.751 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.414 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.0 OUTLIER -44.74 -32.82 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.76 -59.51 4.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.7 -34.05 72.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.404 ' CD2' HG22 ' A' ' 30' ' ' VAL . 15.5 t80 -62.09 -52.29 64.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -61.06 -48.02 83.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -58.18 -53.25 60.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.71 -23.13 27.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.531 ' HA ' HG23 ' A' ' 98' ' ' VAL . 22.1 ttp180 -80.25 -45.19 18.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -61.1 -40.06 92.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -81.0 2.9 24.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 52.88 51.75 15.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -143.16 31.93 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.591 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -59.59 -62.18 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.281 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.55 ' N ' HG12 ' A' ' 98' ' ' VAL . 7.8 m-85 -40.17 -43.17 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.12 -44.97 86.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' A' ' 98' ' ' VAL . 17.9 t80 -64.48 -10.54 26.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.552 ' CD2' HG21 ' A' ' 76' ' ' ILE . 30.9 mt -112.48 -1.17 15.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.45 21.78 76.19 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.5 mt -96.11 -177.66 4.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 83.5 m -108.88 146.57 33.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.433 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.456 ' CB ' ' HB3' ' A' ' 112' ' ' GLU . . . -94.91 148.41 34.69 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.439 ' HD3' ' CE2' ' A' ' 99' ' ' TYR . 18.2 Cg_endo -74.94 147.05 33.66 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.491 1.785 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.2 Cg_endo -75.09 81.07 2.31 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.54 1.811 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 136.31 47.61 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.453 ' H ' ' HB3' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -145.56 164.13 32.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 110.006 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 110' ' ' SER . 0.4 OUTLIER -40.24 -56.47 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.468 ' O ' HG23 ' A' ' 115' ' ' VAL . 0.5 OUTLIER -45.91 -53.15 10.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 110.26 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.453 ' HB3' ' H ' ' A' ' 110' ' ' SER . . . -62.91 -50.48 70.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 115' ' ' VAL . 74.5 mm-40 -54.4 -71.8 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.572 ' O ' HG12 ' A' ' 115' ' ' VAL . 9.7 t 40.27 84.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.6 t -160.71 141.08 11.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.976 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 142.03 174.78 14.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -55.13 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.9 t -40.58 130.54 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 59.6 p -43.68 142.36 1.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m 39.72 80.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 110.039 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m 64.2 91.05 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 110.002 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.14 155.4 26.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.434 1.084 . . . . 0.0 111.045 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 m -131.62 -59.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 109.987 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 m -76.21 167.38 21.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.956 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.96 -133.93 10.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.432 ' CE ' ' O ' ' A' ' 103' ' ' GLY . 0.5 OUTLIER 39.7 85.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 111.018 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 t -89.86 137.98 20.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.586 HG12 HD21 ' A' ' 104' ' ' LEU . 8.4 mm -103.06 104.54 16.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -100.83 125.05 47.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.4 t -108.8 135.28 48.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 21.6 m-85 -103.08 94.76 5.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.959 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 44' ' ' LYS . 1.9 pt -104.63 -177.25 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -131.92 71.95 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.165 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 15' ' ' ALA . 6.6 t -33.44 -45.8 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 110.023 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.518 ' HB3' ' HB1' ' A' ' 47' ' ' ALA . 0.7 OUTLIER -68.89 -71.03 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.029 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.445 ' OG ' ' HB3' ' A' ' 15' ' ' ALA . 0.4 OUTLIER 45.51 -170.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.03 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -134.9 -45.12 0.1 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.55 161.91 27.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 0.736 . . . . 0.0 109.998 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 m -89.4 -46.74 8.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.62 -49.26 2.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mt -54.95 -60.99 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -41.19 -48.84 3.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -63.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -40.66 -57.91 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.421 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 29.2 mt-30 -51.76 -43.93 63.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -67.17 -21.89 65.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.254 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -79.01 -33.51 44.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.488 HG21 ' HG2' ' A' ' 74' ' ' PRO . 61.6 t -80.84 -32.36 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.2 mt -79.0 -54.59 5.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.409 1.068 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.78 -38.79 37.74 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.445 1.09 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.441 ' CE2' HG11 ' A' ' 98' ' ' VAL . 56.9 t80 -62.7 -55.65 24.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.572 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 23.9 mt -58.64 -22.72 57.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -81.64 -43.03 19.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.252 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.48 -28.07 63.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -90.0 2.5 55.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.257 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt 49.06 52.51 14.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.552 HG21 HD22 ' A' ' 34' ' ' LEU . 47.6 mt -95.62 146.73 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.55 75.07 2.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 44.5 p90 -107.95 176.35 5.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -131.24 150.65 52.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -103.29 112.4 25.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 1.135 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' ILE . 13.9 mmmt -113.39 115.0 27.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 47' ' ' ALA . 24.9 t0 -89.82 124.08 34.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.617 HD12 ' NE ' ' A' ' 53' ' ' ARG . 11.0 pt -89.98 -37.07 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.518 ' HB1' ' HB3' ' A' ' 17' ' ' SER . . . -42.86 -70.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.57 -78.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -61.05 95.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 53' ' ' ARG . 10.6 pt-20 -66.65 -53.02 38.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 15.7 pt-20 -38.34 -41.27 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -57.44 -51.22 70.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.617 ' NE ' HD12 ' A' ' 46' ' ' ILE . 20.8 ttt180 -63.12 -38.62 91.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -65.92 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.451 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 40.0 t90 -50.08 -58.01 6.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 107.986 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.578 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 3.6 ttp -51.07 -51.52 52.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.647 ' CZ ' ' CG ' ' A' ' 70' ' ' TYR . 36.4 mtt180 -47.99 -35.75 11.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.21 -49.1 24.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 31.6 m-80 -54.55 -51.69 64.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.888 HG11 ' HG3' ' A' ' 71' ' ' PRO . 44.8 t -38.83 128.82 1.17 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 151.99 40.46 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.512 1.796 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -64.96 -33.74 76.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.345 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -71.32 -7.17 45.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.8 m -116.31 -8.83 11.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -76.38 153.15 83.94 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 167.28 27.4 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.48 1.779 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -40.24 -52.3 2.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.2 t -149.67 149.3 30.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.387 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.83 -165.51 32.05 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.647 ' CG ' ' CZ ' ' A' ' 57' ' ' ARG . 67.7 m-85 -86.48 162.42 45.46 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.451 0.736 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.888 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.02 119.33 5.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.8 mt -73.39 149.03 88.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.519 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -74.95 168.18 25.41 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.519 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.02 167.72 79.6 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.988 0.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.438 ' HG2' ' HA ' ' A' ' 73' ' ' PRO . 59.3 mm-40 -138.31 110.8 7.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.343 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.472 HG21 HD23 ' A' ' 102' ' ' LEU . 3.0 mp -77.88 133.6 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.518 ' CE1' ' HG3' ' A' ' 56' ' ' MET . 5.0 m-85 -142.09 129.6 21.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 80' ' ' SER . 21.4 t-20 -90.25 99.51 12.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 58.37 -82.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -127.57 0.32 6.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -105.17 168.17 9.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.522 ' CD1' ' N ' ' A' ' 83' ' ' ARG . 11.7 t80 -107.39 156.98 18.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.522 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 30.6 mmm180 -128.06 -61.84 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.335 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.483 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 176.27 -174.89 47.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -105.78 -172.71 2.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 0.0 109.349 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.2 t80 -50.46 -33.73 22.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.057 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.87 -56.59 17.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.39 -31.49 71.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.473 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 28.3 t80 -66.67 -43.03 85.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -69.99 -46.74 64.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -58.11 -49.54 76.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.13 -26.22 66.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.637 ' HA ' HG23 ' A' ' 98' ' ' VAL . 19.4 ttp180 -72.98 -56.22 5.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -57.13 -33.35 67.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -85.96 9.19 17.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 42.51 57.63 3.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -147.57 21.4 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.637 HG23 ' HA ' ' A' ' 93' ' ' ARG . 1.6 t -51.01 -57.47 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -43.36 -41.7 4.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.443 ' O ' ' NH2' ' A' ' 83' ' ' ARG . . . -68.0 -38.97 83.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.473 ' CE2' ' HA ' ' A' ' 89' ' ' PHE . 11.3 t80 -71.39 -9.56 58.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.496 ' O ' HD11 ' A' ' 10' ' ' ILE . 34.1 mt -112.29 -0.03 15.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.432 ' O ' ' CE ' ' A' ' 8' ' ' MET . . . 67.34 23.75 73.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.586 HD21 HG12 ' A' ' 10' ' ' ILE . 20.4 mt -96.16 -176.51 3.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.743 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 52.0 m -113.93 142.29 46.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -101.36 150.64 37.37 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.1 Cg_endo -75.06 151.62 39.48 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.534 1.807 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.1 Cg_endo -74.98 114.8 4.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 116.99 -8.93 16.04 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.15 167.05 20.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 0.744 . . . . 0.0 109.976 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 115' ' ' VAL . 0.2 OUTLIER -62.0 -37.74 86.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -61.14 -27.52 68.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -89.02 -45.8 9.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 115' ' ' VAL . 70.0 mm-40 -58.9 -68.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 111' ' ' LYS . 48.9 t 40.56 89.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.9 t -152.75 -64.67 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -38.25 146.55 0.13 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.536 1.148 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 120.08 5.9 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.496 1.788 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.34 81.69 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.35 151.13 4.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.033 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.147 . . . . 0.0 111.028 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 m 63.61 141.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 0.754 . . . . 0.0 109.983 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.0 t -104.78 162.59 13.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.13 177.95 15.7 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.474 1.109 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 m 61.96 112.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.958 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 p -63.34 133.79 54.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.042 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.83 -94.28 0.1 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.464 ' CE ' ' HA3' ' A' ' 103' ' ' GLY . 12.9 mtp 57.5 90.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 111.053 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.456 HG11 ' HE ' ' A' ' 11' ' ' ARG . 1.3 t -72.75 140.78 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.587 HG13 HD11 ' A' ' 104' ' ' LEU . 9.3 mm -106.49 104.63 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.456 ' HE ' HG11 ' A' ' 9' ' ' VAL . 20.0 mtt180 -101.0 128.94 46.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.6 t -114.07 136.85 49.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 23.8 m-85 -104.35 96.37 6.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 44' ' ' LYS . 2.3 pt -104.92 -179.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' SER . . . -128.62 70.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' ALA . 12.5 t -36.28 -45.03 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.974 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.78 48.26 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.6 OUTLIER -87.78 176.7 7.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.19 -56.69 0.21 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.36 118.35 5.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 110.03 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -53.98 -44.03 70.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.41 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.9 -56.6 3.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mt -53.58 -59.3 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -41.07 -52.61 3.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -61.0 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -41.09 -58.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.422 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 30.3 mt-30 -51.46 -46.44 63.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -65.28 -24.23 67.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.323 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -74.79 -31.3 61.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.409 HG22 ' CD2' ' A' ' 89' ' ' PHE . 78.0 t -81.62 -30.14 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.1 mt -80.36 -54.13 5.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.82 -44.45 24.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.585 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 67.0 t80 -60.82 -59.18 5.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.589 HD22 HG21 ' A' ' 39' ' ' ILE . 60.9 mt -55.77 -22.23 23.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -83.79 -47.35 11.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.96 -27.79 68.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -90.32 -0.7 57.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mttt 52.29 46.57 26.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.589 HG21 HD22 ' A' ' 34' ' ' LEU . 27.0 mt -88.86 149.17 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.235 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.23 78.22 1.96 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 50.0 p90 -109.83 176.26 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 10' ' ' ILE . 2.9 mm-40 -131.69 150.32 52.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -104.21 112.15 25.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' ILE . 11.8 mmmt -113.09 117.55 32.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 24.7 t0 -90.91 126.01 35.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.497 HD12 ' HG3' ' A' ' 53' ' ' ARG . 19.4 pt -94.28 -17.66 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.49 -66.51 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.455 ' HB3' ' OD2' ' A' ' 45' ' ' ASP . . . -84.84 54.8 3.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 48' ' ' ALA . 0.5 OUTLIER 160.35 100.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 53' ' ' ARG . 1.5 pm0 -73.81 -40.91 63.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -39.2 -42.93 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 56' ' ' MET . 19.8 m-20 -70.33 -44.91 67.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.497 ' HG3' HD12 ' A' ' 46' ' ' ILE . 4.2 ttp180 -65.14 -45.64 84.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.17 . . . . 0.0 110.337 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 1.2 ttmm -60.96 -66.35 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.42 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 48.2 t90 -47.41 -59.95 2.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.574 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 7.0 ttp -45.8 -47.53 15.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.642 ' NE ' ' CE1' ' A' ' 70' ' ' TYR . 12.2 mtp180 -58.48 -36.38 73.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.18 -26.61 61.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -82.06 -53.04 6.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.806 HG11 ' HG3' ' A' ' 71' ' ' PRO . 51.3 t -40.87 128.0 1.95 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 152.7 41.27 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.558 1.82 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -64.1 -30.36 71.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.243 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.03 -13.06 61.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.461 ' OG ' ' CZ ' ' A' ' 82' ' ' TYR . 3.7 m -105.75 -25.33 12.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -60.41 153.94 56.86 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' ALA . 18.2 Cg_endo -75.04 169.3 22.91 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.553 1.817 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' PRO . . . -40.34 -44.42 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.1 t -158.54 142.8 15.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 110.42 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.68 -170.13 26.4 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.642 ' CE1' ' NE ' ' A' ' 57' ' ' ARG . 70.8 m-85 -81.35 161.05 63.6 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.806 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.98 114.58 4.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.543 1.812 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.6 mt -72.37 149.96 91.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.51 ' HA ' ' C ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.04 167.35 27.21 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -75.02 168.78 76.42 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.989 -2.504 . . . . 0.0 111.019 0.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.43 ' HG2' ' HA ' ' A' ' 73' ' ' PRO . 63.0 mm-40 -139.45 111.31 7.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.631 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.8 mp -78.0 129.95 36.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.571 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 1.1 m-85 -138.65 129.74 26.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 80' ' ' SER . 24.4 t-20 -94.44 98.68 11.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 58.24 -81.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -130.8 5.43 4.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.046 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.9 165.17 11.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.48 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 3.1 t80 -110.67 148.49 32.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.42 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 27.7 mmm180 -120.13 -59.2 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.417 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 177.82 -174.32 46.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.133 . . . . 0.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -108.68 -174.98 2.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.442 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.1 t80 -45.66 -34.93 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.1 -56.76 15.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.31 -32.33 72.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.506 ' HB2' HD11 ' A' ' 76' ' ' ILE . 8.8 t80 -64.15 -40.36 95.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -73.29 -49.93 24.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -54.49 -55.33 30.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.42 -27.0 33.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.638 ' HA ' HG23 ' A' ' 98' ' ' VAL . 35.0 ttp180 -77.38 -43.11 33.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.256 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.47 -37.02 82.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.239 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -86.43 10.92 13.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.1 m120 44.36 58.75 3.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -150.3 27.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.638 HG23 ' HA ' ' A' ' 93' ' ' ARG . 1.4 t -55.51 -61.24 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.553 ' CE2' ' HD3' ' A' ' 107' ' ' PRO . 27.5 m-85 -41.85 -42.84 2.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.84 -41.95 91.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 98' ' ' VAL . 18.3 t80 -67.94 -11.28 58.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.631 ' CD2' HG21 ' A' ' 76' ' ' ILE . 31.3 mt -112.27 1.15 15.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.464 ' HA3' ' CE ' ' A' ' 8' ' ' MET . . . 69.49 14.18 69.09 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.452 1.095 . . . . 0.0 110.963 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.587 HD11 HG13 ' A' ' 10' ' ' ILE . 19.0 mt -89.68 -174.94 4.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 86.7 m -112.6 146.43 38.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.374 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.67 148.75 44.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.553 ' HD3' ' CE2' ' A' ' 99' ' ' TYR . 18.3 Cg_endo -75.0 146.15 32.29 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.3 Cg_endo -74.97 76.86 3.26 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 141.88 49.69 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.426 ' H ' ' HB3' ' A' ' 113' ' ' ALA . 0.6 OUTLIER -149.5 164.31 35.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 110.002 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 115' ' ' VAL . 0.0 OUTLIER -40.34 -59.15 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.531 ' O ' HG22 ' A' ' 115' ' ' VAL . 1.7 mt-10 -42.71 -51.11 5.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.426 ' HB3' ' H ' ' A' ' 110' ' ' SER . . . -67.16 -42.44 84.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.162 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 115' ' ' VAL . 3.9 mt-10 -60.22 -65.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 112' ' ' GLU . 25.1 m -39.09 132.59 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.9 t -179.33 101.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 143.43 -146.93 18.06 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 129.94 12.84 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.462 1.77 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 84.8 p -149.12 153.02 37.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 65.3 p -154.4 159.25 41.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.935 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.491 1.119 . . . . 0.0 111.057 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -92.8 159.08 15.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.012 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.3 p -171.5 155.01 3.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.68 -151.79 8.73 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t -169.88 153.36 4.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 0.74 . . . . 0.0 110.028 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 m -145.15 113.08 6.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.79 -130.45 2.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 111.042 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.8 mtm 54.99 84.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.787 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 t -80.85 136.16 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.687 HG12 HD21 ' A' ' 104' ' ' LEU . 8.7 mm -100.81 105.41 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 77' ' ' PHE . 40.4 mtt180 -101.28 126.73 48.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.7 t -113.12 133.79 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.424 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 23.4 m-85 -101.9 98.74 8.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.1 pt -105.11 166.09 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -113.14 63.65 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 17' ' ' SER . 41.1 t -38.9 123.57 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.2 OUTLIER 84.58 35.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.004 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 t -76.74 141.45 40.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.964 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.65 60.24 4.84 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 m -174.2 97.97 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.585 0.815 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.0 m -42.26 -42.22 3.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.394 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.7 -52.6 17.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.411 HG22 ' NE2' ' A' ' 27' ' ' GLN . 4.0 mt -60.67 -59.54 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -40.07 -57.29 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -57.8 -61.73 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -41.07 -58.67 1.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.411 ' NE2' HG22 ' A' ' 23' ' ' ILE . 31.2 mt-30 -52.18 -52.42 52.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -61.61 -20.59 63.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 25' ' ' LYS . 8.3 t70 -78.12 -33.59 50.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.455 HG22 ' CD2' ' A' ' 89' ' ' PHE . 75.0 t -81.33 -32.92 12.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.68 -53.13 7.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.97 -38.1 30.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.557 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 50.5 t80 -64.09 -52.48 59.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.604 HD22 HG21 ' A' ' 39' ' ' ILE . 35.0 mt -63.6 -17.65 63.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -87.65 -43.01 12.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.9 -31.0 65.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -88.39 2.28 52.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt 49.05 54.76 10.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.604 HG21 HD22 ' A' ' 34' ' ' LEU . 51.0 mt -96.26 149.74 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.93 74.59 2.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 37.9 p90 -108.12 176.17 5.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 0.718 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.6 mm-40 -131.18 150.45 52.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -105.29 110.26 22.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 14' ' ' ILE . 10.9 mmmt -109.99 117.83 34.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.67 130.56 34.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.576 HD12 ' CD ' ' A' ' 53' ' ' ARG . 9.0 pt -104.1 -18.04 6.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.63 -70.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.95 -78.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.96 117.33 2.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.93 -51.36 8.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 52' ' ' ASN . 11.7 pt-20 -40.64 -51.32 3.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 9.6 m-20 -54.11 -54.12 43.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.576 ' CD ' HD12 ' A' ' 46' ' ' ILE . 34.4 ttt180 -59.27 -54.39 47.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.17 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 55' ' ' TRP . 4.4 tttp -55.19 -65.31 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.603 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 89.0 t90 -41.44 -55.11 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.569 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 1.7 ttp -53.41 -43.77 68.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.454 ' O ' ' NH2' ' A' ' 65' ' ' ARG . 16.4 mtp180 -62.27 -21.19 65.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.275 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -95.41 -19.3 20.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 110.271 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.603 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.7 m-80 -84.43 -51.14 7.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.722 HG11 ' HG3' ' A' ' 71' ' ' PRO . 40.6 t -39.82 132.87 1.42 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 60' ' ' VAL . 18.5 Cg_endo -74.95 150.34 38.26 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -66.07 -17.21 64.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.167 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -85.36 -8.61 58.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.456 ' HG ' ' HE1' ' A' ' 82' ' ' TYR . 8.7 m -117.33 -8.67 11.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.037 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.455 ' HG3' HG12 ' A' ' 60' ' ' VAL . 21.3 mtt180 -72.2 146.63 89.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -173.23 1.5 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.497 1.788 . . . . 0.0 111.034 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.2 82.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.8 t -176.76 137.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 70' ' ' TYR . . . 114.59 32.34 1.95 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.447 ' CD1' ' HG2' ' A' ' 57' ' ' ARG . 35.5 m-85 54.97 164.61 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.722 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.5 Cg_endo -74.97 131.8 14.74 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.782 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.718 ' O ' HD12 ' A' ' 72' ' ' LEU . 1.1 pp -92.22 155.2 42.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.238 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.511 ' HA ' ' C ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.0 166.85 28.34 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.771 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.01 160.83 95.98 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.959 -2.517 . . . . 0.0 111.003 0.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -133.91 117.81 17.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.553 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.8 mp -92.02 141.21 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.569 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 16.0 m-85 -145.92 128.76 16.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.516 ' O ' ' N ' ' A' ' 80' ' ' SER . 20.3 t-20 -83.51 96.38 8.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 65.93 -61.18 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -144.53 -39.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.003 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.83 162.11 24.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.532 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 14.6 t80 -101.0 140.95 34.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -110.07 -56.7 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.404 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 176.55 -172.18 45.15 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -117.41 -173.02 2.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.75 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.0 OUTLIER -45.56 -35.09 3.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.949 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.27 -54.77 39.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.85 82.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.455 ' CD2' HG22 ' A' ' 30' ' ' VAL . 34.9 t80 -59.15 -47.77 84.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -64.67 -51.95 59.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.048 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -53.42 -57.14 11.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.479 ' HB1' ' HA ' ' A' ' 98' ' ' VAL . . . -52.58 -27.2 15.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.441 ' N ' HG23 ' A' ' 98' ' ' VAL . 7.6 ttp180 -75.29 -51.89 12.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -51.88 -40.11 60.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -87.74 12.79 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.415 ' HB2' HG11 ' A' ' 115' ' ' VAL . 19.6 m-80 40.66 54.52 3.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -138.37 15.27 2.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.557 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -45.44 -54.61 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.469 ' N ' HG12 ' A' ' 98' ' ' VAL . 11.0 m-85 -45.26 -46.73 12.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.12 96.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -69.97 -10.89 60.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.553 ' CD2' HG21 ' A' ' 76' ' ' ILE . 29.0 mt -112.47 1.74 16.05 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 67.99 15.79 67.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.107 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.687 HD21 HG12 ' A' ' 10' ' ' ILE . 19.4 mt -90.05 -175.74 4.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.75 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 86.9 m -115.43 143.79 44.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -91.63 150.49 41.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -74.93 146.5 33.04 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.478 1.778 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.2 Cg_endo -75.03 76.92 3.27 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 110.993 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 142.6 49.64 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -149.52 162.52 39.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.757 . . . . 0.0 110.003 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.767 ' O ' HG13 ' A' ' 115' ' ' VAL . 0.6 OUTLIER -45.57 -46.37 14.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.461 ' OE2' ' CD2' ' A' ' 99' ' ' TYR . 1.4 mp0 -53.59 -35.94 61.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 110' ' ' SER . . . -84.44 -35.75 22.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.17 -58.8 4.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.767 HG13 ' O ' ' A' ' 111' ' ' LYS . 8.2 m -44.69 -28.92 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.2 m -77.69 -65.25 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.021 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -145.16 156.71 27.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.128 . . . . 0.0 111.013 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -48.16 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 111.059 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 42.2 m -90.98 -71.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.57 162.2 26.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 -179.971 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -95.59 167.06 11.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 109.988 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 m -163.29 101.72 0.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.001 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.91 -128.18 5.8 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 p -126.63 147.4 49.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.776 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.12 139.45 47.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.27 150.45 8.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -164.47 85.48 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 t -88.62 145.73 7.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.44 1.088 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.643 HG12 HD21 ' A' ' 104' ' ' LEU . 14.5 mm -115.09 105.77 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 -100.91 126.31 47.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.469 HG12 HG23 ' A' ' 14' ' ' ILE . 61.4 t -109.59 132.28 58.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.584 ' HD2' HG22 ' A' ' 46' ' ' ILE . 27.9 m-85 -100.75 96.61 7.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.469 HG23 HG12 ' A' ' 12' ' ' VAL . 2.3 pt -104.96 -177.65 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.464 ' HB3' ' OG ' ' A' ' 18' ' ' SER . . . -128.98 68.61 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' ALA . 15.5 t -36.7 -44.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.431 ' HB3' ' HB1' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -87.2 48.88 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.979 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.464 ' OG ' ' HB3' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -92.09 178.5 5.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.51 -50.48 0.17 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -57.99 109.71 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 0.79 . . . . 0.0 109.985 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 m -48.06 -45.08 31.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.41 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.95 -56.7 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.6 mt -50.23 -60.64 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ILE . 37.7 mtmt -39.56 -60.64 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.08 -61.16 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -43.02 -58.28 2.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.439 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 30.8 mt-30 -52.13 -49.52 63.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -63.11 -21.96 66.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -76.96 -34.02 57.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.432 HG21 ' HG2' ' A' ' 74' ' ' PRO . 54.4 t -81.63 -33.42 12.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.02 -53.52 6.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -51.36 -39.31 43.52 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.666 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 30.7 t80 -63.44 -53.86 45.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.606 HD22 HG21 ' A' ' 39' ' ' ILE . 34.7 mt -60.52 -21.39 62.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -83.34 -43.95 15.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.14 -28.19 65.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -90.09 3.68 52.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt 47.68 51.28 14.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.606 HG21 HD22 ' A' ' 34' ' ' LEU . 38.8 mt -92.62 150.0 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.45 71.25 2.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 32.0 p90 -105.91 176.34 5.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 0.775 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.5 mm-40 -132.0 151.42 51.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -103.91 111.95 24.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 14' ' ' ILE . 14.6 mmmt -112.29 116.79 30.96 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.508 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 12.5 t70 -90.9 120.03 31.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.584 HG22 ' HD2' ' A' ' 13' ' ' TYR . 11.8 pt -89.06 -28.17 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.431 ' HB1' ' HB3' ' A' ' 17' ' ' SER . . . -55.44 -66.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.508 ' HB3' ' OD2' ' A' ' 45' ' ' ASP . . . -93.08 57.07 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.355 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 50' ' ' GLU . 8.2 t-20 174.52 56.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 49' ' ' ASN . 2.0 mt-10 -37.91 -48.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.267 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 18.0 pt-20 -42.89 -52.47 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.448 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 7.9 m-20 -53.04 -46.09 68.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.57 ' CD ' HD12 ' A' ' 46' ' ' ILE . 29.5 ttt180 -67.86 -41.26 83.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.76 -62.04 2.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.448 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 31.6 t90 -54.46 -61.59 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 108.015 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.568 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 3.2 ttp -45.28 -50.59 11.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 111.041 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.651 ' NE ' ' CD1' ' A' ' 70' ' ' TYR . 36.6 mtt180 -49.6 -46.85 49.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.38 -48.29 82.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.354 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 33.8 m-80 -58.3 -58.46 8.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.738 HG11 ' HG3' ' A' ' 71' ' ' PRO . 55.0 t -38.37 122.59 1.1 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 150.22 38.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.475 1.776 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -58.18 -41.4 83.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -60.02 -22.25 62.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.493 ' OG ' ' CE1' ' A' ' 82' ' ' TYR . 1.4 m -97.34 -25.73 15.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -55.55 158.88 5.4 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.415 ' C ' ' N ' ' A' ' 68' ' ' THR . 18.2 Cg_endo -75.05 164.29 33.54 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.461 1.769 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -42.09 -28.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.415 ' N ' ' C ' ' A' ' 66' ' ' PRO . 9.0 t -172.52 141.0 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.6 176.38 45.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.651 ' CD1' ' NE ' ' A' ' 57' ' ' ARG . 82.4 m-85 -61.88 162.03 19.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.738 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.99 115.91 4.43 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 72' ' ' LEU . 30.6 mt -77.32 150.3 79.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.513 ' HA ' ' C ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -74.95 167.33 27.31 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.455 1.766 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.0 155.62 99.97 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.989 0.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -128.27 110.51 12.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.544 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -78.79 135.5 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.558 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 1.3 m-85 -145.33 129.86 17.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 80' ' ' SER . 23.0 t-20 -94.02 98.66 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 58.82 -81.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.251 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -131.32 5.12 4.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.028 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.63 164.45 12.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.493 ' CE1' ' OG ' ' A' ' 64' ' ' SER . 39.7 t80 -109.36 145.03 36.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -115.61 -52.82 2.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.475 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 169.63 -166.34 39.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -117.72 -178.36 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.1 t80 -42.41 -34.93 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -61.06 -55.76 28.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.35 -36.15 81.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.441 ' HB2' HD11 ' A' ' 76' ' ' ILE . 21.9 t80 -58.84 -48.51 81.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -64.19 -51.82 61.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -53.75 -51.39 63.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.26 -23.27 63.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.445 ' CA ' HG23 ' A' ' 98' ' ' VAL . 23.5 ttp85 -79.14 -56.5 4.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.445 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 1.6 mm-40 -54.44 -35.39 62.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -87.51 12.52 12.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 40.14 63.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.72 23.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.163 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.666 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 1.2 t -56.05 -58.88 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.444 ' N ' HG12 ' A' ' 98' ' ' VAL . 18.8 m-85 -43.16 -45.41 5.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.31 -37.0 82.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 98' ' ' VAL . 14.6 t80 -72.85 -12.0 60.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.552 1.158 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.544 ' CD2' HG21 ' A' ' 76' ' ' ILE . 45.5 mt -110.89 1.67 17.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 66.22 19.8 68.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.643 HD21 HG12 ' A' ' 10' ' ' ILE . 22.8 mt -91.81 -174.82 3.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 0.78 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 54.0 m -110.74 147.6 34.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.404 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.71 150.81 38.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.0 150.43 38.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.3 Cg_endo -75.03 111.01 3.22 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.515 1.797 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 120.58 -21.08 8.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.445 1.091 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.516 ' O ' ' HB3' ' A' ' 113' ' ' ALA . 0.6 OUTLIER -74.43 159.41 32.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.773 . . . . 0.0 109.98 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.461 ' HA ' ' CG ' ' A' ' 114' ' ' GLU . 8.0 tptt -45.22 -59.32 2.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.95 -23.81 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 110' ' ' SER . . . -91.39 -48.76 6.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 115' ' ' VAL . 0.1 OUTLIER -65.44 -36.24 83.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.47 ' N ' ' HG3' ' A' ' 114' ' ' GLU . 7.9 p -126.68 125.4 66.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.05 -58.08 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.961 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -38.89 99.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -42.28 0.53 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.512 1.796 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.3 p 48.49 -175.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.04 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -108.85 154.98 21.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.995 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.995 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.41 123.59 28.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 110.006 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 m -50.49 109.34 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.77 126.51 4.9 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.74 -58.41 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 110.006 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 m -120.95 146.79 46.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.012 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.62 150.17 5.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -165.46 85.37 0.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 0.755 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -86.15 138.08 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.577 HG12 HD21 ' A' ' 104' ' ' LEU . 9.6 mm -102.41 105.13 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -101.13 123.41 45.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -108.18 128.5 63.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.442 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 10.5 m-85 -99.51 100.02 10.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.0 pt -105.2 174.52 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -119.53 63.82 0.8 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 17' ' ' SER . 31.4 t -38.32 127.53 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.3 OUTLIER 85.73 34.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.977 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.81 111.5 18.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.15 -48.54 10.19 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.5 m -61.72 97.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 109.986 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.2 m -49.06 -36.4 18.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.416 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.95 -44.63 40.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.418 HG22 ' NE2' ' A' ' 27' ' ' GLN . 4.1 mt -63.79 -57.89 9.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -40.05 -51.52 2.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' ASP . 1.9 ttmt -59.09 -64.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.2 mttp -41.05 -58.37 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.418 ' NE2' HG22 ' A' ' 23' ' ' ILE . 30.0 mt-30 -52.62 -49.4 65.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -63.09 -25.64 68.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 25' ' ' LYS . 3.8 t70 -73.37 -32.59 64.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.413 HG21 ' HG2' ' A' ' 74' ' ' PRO . 94.5 t -80.47 -32.15 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.3 mt -78.54 -54.38 6.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.43 -40.76 39.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.438 1.087 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.498 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 50.3 t80 -63.89 -50.82 67.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.631 HD22 HG21 ' A' ' 39' ' ' ILE . 51.8 mt -65.22 -23.16 67.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.117 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -82.29 -44.91 15.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.1 -32.87 74.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -87.67 3.66 47.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt 47.58 53.47 11.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.631 HG21 HD22 ' A' ' 34' ' ' LEU . 36.4 mt -92.86 149.84 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.82 71.06 2.82 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.14 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 45.0 p90 -103.72 176.34 5.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.1 mm-40 -131.15 150.96 51.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -106.06 116.44 31.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' ILE . 11.9 mmmt -116.96 117.83 30.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -87.91 137.32 32.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 14' ' ' ILE . 13.4 pt -112.65 -9.07 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.78 -53.35 18.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.94 -72.54 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.31 121.71 12.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.7 -51.8 6.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 15.0 pt-20 -39.81 -47.49 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.474 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 9.0 m-20 -55.66 -56.6 18.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.449 ' HG3' HD12 ' A' ' 46' ' ' ILE . 28.7 ttt180 -57.6 -53.66 55.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -55.43 -64.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.457 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 60.3 t90 -44.96 -62.34 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 108.005 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.572 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 9.2 ttp -42.96 -54.25 4.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.561 ' CZ ' ' CD2' ' A' ' 70' ' ' TYR . 28.6 mtt180 -48.41 -47.0 38.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.46 -37.3 77.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 25.6 m-80 -69.89 -54.48 13.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.864 HG11 ' HG3' ' A' ' 71' ' ' PRO . 67.2 t -38.84 127.86 1.18 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.73 42.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.93 -42.92 99.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 110.339 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -60.82 -15.54 31.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 m -104.53 -26.17 12.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -64.68 145.1 98.81 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -168.2 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.452 1.764 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.423 ' O ' ' HB ' ' A' ' 68' ' ' THR . . . -61.0 -46.64 89.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 67' ' ' ALA . 1.3 t 179.65 137.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.52 32.1 2.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.561 ' CD2' ' CZ ' ' A' ' 57' ' ' ARG . 70.2 m-85 56.04 162.59 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.864 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.01 133.82 17.05 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.494 1.786 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.779 ' O ' HD12 ' A' ' 72' ' ' LEU . 1.1 pp -86.56 152.59 54.82 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.505 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.02 167.23 27.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.466 1.771 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.505 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.03 161.84 94.04 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.971 0.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -129.06 110.21 11.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.414 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -83.9 139.29 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.572 ' CE1' ' HG3' ' A' ' 56' ' ' MET . 12.0 m-85 -148.16 129.17 14.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 80' ' ' SER . 24.1 t-20 -86.49 96.55 10.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 66.83 -60.3 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.266 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -147.94 -37.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.22 166.47 11.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.551 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 17.9 t80 -103.6 137.84 41.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -108.6 -52.03 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.551 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 169.11 -170.81 42.73 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.7 p-10 -113.24 -174.3 2.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 0.799 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.522 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -49.17 -34.27 14.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.95 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.53 -57.67 10.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.0 -32.01 71.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -65.16 -45.04 86.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -67.26 -50.54 60.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -52.73 -55.16 24.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.65 -25.48 39.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.674 ' HA ' HG23 ' A' ' 98' ' ' VAL . 23.0 ttp85 -76.73 -41.7 44.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -66.37 -35.22 79.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -86.24 9.9 16.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 15.5 m120 45.18 59.65 3.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -152.08 26.72 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.674 HG23 ' HA ' ' A' ' 93' ' ' ARG . 1.4 t -54.36 -57.19 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -42.27 -42.57 3.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.45 -41.27 93.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 98' ' ' VAL . 24.6 t80 -69.81 -8.66 50.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.476 ' O ' HD11 ' A' ' 10' ' ' ILE . 22.4 mt -115.42 0.5 13.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 65.87 24.86 71.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.577 HD21 HG12 ' A' ' 10' ' ' ILE . 22.5 mt -98.43 -177.69 3.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.5 m -108.65 150.19 27.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.401 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -109.23 147.31 35.71 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 150.96 38.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.512 1.796 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 105.59 2.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 128.67 -14.9 6.03 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.64 174.71 7.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -33.36 71.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.579 ' O ' HG23 ' A' ' 115' ' ' VAL . 5.3 mp0 -62.56 -40.56 97.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.7 -36.89 36.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 116' ' ' SER . 1.3 mt-10 -69.69 -63.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 112' ' ' GLU . 67.8 t 61.9 -82.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 114' ' ' GLU . 85.2 p -63.29 81.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.03 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 115' ' ' VAL . . . -114.19 -124.78 4.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.115 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 68.03 5.84 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.501 1.79 . . . . 0.0 111.018 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 21.8 p -156.78 149.39 23.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.961 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.31 118.17 15.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.058 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 111.021 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.3 t -71.49 86.66 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 0.793 . . . . 0.0 109.993 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.31 170.06 11.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.57 64.77 0.37 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.143 . . . . 0.0 111.022 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 t -171.34 84.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 110.024 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.82 157.16 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.075 . . . . 0.0 110.003 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.31 175.08 25.11 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 mtp 38.97 85.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 t -90.32 132.34 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.595 HG12 HD21 ' A' ' 104' ' ' LEU . 7.2 mm -97.6 104.43 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -100.77 125.65 47.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.1 t -110.2 138.22 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.356 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.512 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 24.6 m-85 -106.22 94.52 5.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 46' ' ' ILE . 1.9 pt -104.77 -177.75 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' A' ' 47' ' ' ALA . . . -132.74 74.06 1.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.506 ' C ' ' O ' ' A' ' 15' ' ' ALA . 2.7 t -31.37 -76.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -41.45 -65.24 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.985 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 17' ' ' SER . 3.1 p 47.07 -174.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.044 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -144.95 15.73 1.95 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 m -146.15 140.4 26.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.964 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.7 m -71.46 -46.1 60.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.435 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.08 -49.81 2.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mt -62.13 -57.52 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -41.35 -45.71 3.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.26 -66.01 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -39.86 -56.86 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.448 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 28.9 mt-30 -53.13 -48.5 67.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -64.04 -19.91 65.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -78.83 -33.26 46.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.0 t -81.87 -33.75 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -77.37 -55.34 5.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.47 -39.91 37.97 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.514 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 50.4 t80 -62.22 -51.57 67.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.773 HD23 HD12 ' A' ' 39' ' ' ILE . 54.6 mt -63.03 -24.91 68.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -79.84 -41.48 26.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.93 -31.01 65.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -88.93 9.46 24.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt 42.27 51.31 4.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.773 HD12 HD23 ' A' ' 34' ' ' LEU . 96.7 mt -93.54 149.49 4.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.88 83.02 1.54 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 40.9 p90 -117.04 175.99 5.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 0.799 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.6 mt-10 -132.5 141.76 48.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -95.03 117.8 30.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 14' ' ' ILE . 14.0 mmmt -118.82 117.63 29.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -87.79 136.56 32.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.715 HD12 ' NE ' ' A' ' 53' ' ' ARG . 6.2 pt -107.71 -24.6 3.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.525 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -55.84 -57.87 10.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.22 -74.28 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -55.49 123.25 13.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.8 -55.1 4.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 52' ' ' ASN . 12.4 pt-20 -39.84 -52.54 2.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.423 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 8.6 m-20 -48.25 -55.47 10.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.715 ' NE ' HD12 ' A' ' 46' ' ' ILE . 40.8 ttt180 -60.6 -64.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 1.0 OUTLIER -42.02 -64.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.466 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 31.7 t90 -49.58 -61.73 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 107.984 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.591 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 15.0 ttp -38.17 -61.66 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.661 ' CD ' ' CD1' ' A' ' 70' ' ' TYR . 29.7 mtm180 -43.36 -52.26 5.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -52.31 -38.81 59.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 28.2 m-80 -70.57 -55.32 9.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.873 HG11 ' HG3' ' A' ' 71' ' ' PRO . 73.7 t -38.11 125.22 1.05 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.02 151.99 40.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -67.61 -19.81 65.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -81.53 -12.33 58.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.7 m -108.06 -22.79 12.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.9 mtt85 -54.03 154.91 6.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 177.76 8.13 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.425 1.75 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.22 -50.96 15.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.9 t -153.59 145.41 23.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.369 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.7 -168.5 31.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.661 ' CD1' ' CD ' ' A' ' 57' ' ' ARG . 87.7 m-85 -79.8 162.77 61.4 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.771 . . . . 0.0 111.033 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.873 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.01 115.2 4.21 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.519 1.8 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.746 ' O ' HD12 ' A' ' 72' ' ' LEU . 1.5 pp -75.22 152.19 85.99 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.522 ' HA ' ' C ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.02 165.74 30.66 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -75.0 168.45 77.4 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.987 -0.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -139.19 110.53 6.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.416 1.072 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.519 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.9 mp -76.78 128.79 37.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.591 ' CE1' ' HG3' ' A' ' 56' ' ' MET . 3.4 m-85 -138.17 129.81 28.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 80' ' ' SER . 11.0 t-20 -92.91 101.06 13.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 57.39 -83.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -126.73 -0.99 6.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -101.88 173.26 6.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 18.0 t80 -112.77 149.99 32.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.448 ' HB2' HG22 ' A' ' 76' ' ' ILE . 29.8 mmm180 -121.19 -53.95 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 167.07 -168.57 40.45 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -115.61 -177.17 3.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 0.749 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.421 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 0.9 OUTLIER -45.03 -34.12 2.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.974 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.43 -59.71 4.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.82 -26.28 65.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.443 ' HB2' HD11 ' A' ' 76' ' ' ILE . 18.8 t80 -72.29 -39.89 67.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -71.69 -41.87 68.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -63.07 -45.99 89.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.54 -24.32 67.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.476 ' HA ' HG23 ' A' ' 98' ' ' VAL . 0.7 OUTLIER -72.39 -55.92 6.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.435 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 1.9 mm-40 -55.41 -36.01 65.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -81.03 2.69 25.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 49.32 39.25 15.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -131.49 32.53 4.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.233 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.514 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -59.86 -52.41 61.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -47.96 -42.36 27.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.59 -37.83 85.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.175 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -71.8 -11.93 61.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.519 ' CD2' HG21 ' A' ' 76' ' ' ILE . 36.0 mt -110.68 1.64 18.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 67.1 21.03 71.51 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.595 HD21 HG12 ' A' ' 10' ' ' ILE . 23.4 mt -93.14 -174.14 3.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 33.4 m -111.46 149.99 30.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.372 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -104.37 147.56 34.56 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.0 146.53 32.75 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.527 1.804 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.1 Cg_endo -75.06 112.55 3.58 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.788 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 119.88 -31.93 5.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.77 165.94 3.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.988 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.898 ' O ' HG12 ' A' ' 115' ' ' VAL . 0.3 OUTLIER -58.4 -37.08 74.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -55.83 -39.04 70.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -81.02 -41.57 22.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -58.87 -64.88 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.898 HG12 ' O ' ' A' ' 111' ' ' LYS . 9.9 p -45.37 101.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.56 97.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.962 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -171.95 -151.23 7.67 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 95.66 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.473 1.775 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.8 t -164.23 125.32 2.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.5 t -86.72 76.96 9.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -160.69 123.9 3.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 p -150.37 170.3 19.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.026 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.32 171.73 44.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.125 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 p -154.4 154.16 32.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 0.0 109.974 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 p -131.26 174.12 10.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.48 128.01 3.81 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.443 1.089 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -167.98 83.71 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 0.804 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -82.49 144.61 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' GLU . 12.1 mm -108.15 107.73 23.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.465 ' CZ ' ' HE2' ' A' ' 44' ' ' LYS . 26.1 mtp180 -100.45 128.56 46.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.405 HG12 HG23 ' A' ' 14' ' ' ILE . 47.9 t -115.95 126.9 73.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.581 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 4.3 m-85 -100.0 99.36 10.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' LYS . 2.4 pt -105.08 177.28 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -124.19 67.28 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 15' ' ' ALA . 14.3 t -35.2 -35.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -102.41 64.65 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 t -101.0 -70.62 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.142 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.2 -36.06 4.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -71.05 105.06 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 110.005 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.4 m -42.24 -49.9 4.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.443 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.78 -60.59 1.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.6 mt -53.02 -60.81 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.367 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ILE . 33.2 mtmt -39.92 -50.34 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.3 OUTLIER -59.61 -65.23 0.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HG2' ' CE2' ' A' ' 86' ' ' TYR . 35.4 mttm -39.54 -55.98 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.414 ' HB3' HG21 ' A' ' 14' ' ' ILE . 27.7 mt-30 -54.2 -50.98 65.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -63.56 -21.52 66.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 25' ' ' LYS . 8.1 t0 -79.45 -34.26 41.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.516 HG21 ' HG2' ' A' ' 74' ' ' PRO . 95.3 t -79.55 -28.81 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.3 mt -82.47 -54.34 5.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.08 -39.17 26.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.614 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 35.7 t80 -64.0 -58.28 7.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.645 HD22 HG21 ' A' ' 39' ' ' ILE . 35.0 mt -56.18 -19.86 15.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -85.01 -47.18 10.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.96 -26.44 66.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -91.39 -0.86 57.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm 52.75 42.72 31.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.262 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.645 HG21 HD22 ' A' ' 34' ' ' LEU . 16.9 mt -83.57 151.34 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.4 72.97 2.29 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.548 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 38.7 p90 -106.28 175.77 5.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.4 mt-10 -134.24 139.06 45.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -93.74 114.27 26.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.465 ' HE2' ' CZ ' ' A' ' 11' ' ' ARG . 7.4 mmmt -115.24 125.45 53.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -94.75 129.78 41.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.594 HD12 ' CD ' ' A' ' 53' ' ' ARG . 13.3 pt -99.14 -13.5 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.402 ' HB1' ' CB ' ' A' ' 17' ' ' SER . . . -66.78 -70.52 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.82 -94.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -52.63 121.78 7.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -84.98 -38.45 19.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -40.83 -41.16 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 56' ' ' MET . 11.8 m-20 -67.0 -55.94 12.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.594 ' CD ' HD12 ' A' ' 46' ' ' ILE . 26.5 ttt180 -56.54 -52.14 65.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 1.5 tttp -52.99 -71.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.621 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 87.3 t90 -43.45 -55.04 4.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 108.023 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.593 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 11.1 ttp -47.36 -49.22 24.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.697 ' CD ' ' CD1' ' A' ' 70' ' ' TYR . 45.7 mtm180 -57.1 -39.95 76.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.77 -14.51 60.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.621 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.8 m-80 -89.41 -56.16 3.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.721 HG11 ' HG3' ' A' ' 71' ' ' PRO . 54.6 t -41.54 127.55 2.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 151.27 39.41 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.429 1.752 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.41 -26.55 68.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -76.76 -7.89 56.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 m -113.07 -23.71 9.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.999 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -60.48 161.81 13.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.402 ' C ' ' N ' ' A' ' 68' ' ' THR . 18.3 Cg_endo -75.0 163.99 34.24 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.789 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -42.42 -29.59 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.402 ' N ' ' C ' ' A' ' 66' ' ' PRO . 9.7 t -168.04 145.7 4.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.41 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.11 -174.82 44.26 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.099 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.697 ' CD1' ' CD ' ' A' ' 57' ' ' ARG . 90.0 m-85 -76.29 162.29 71.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.721 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -75.01 122.06 6.97 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.514 1.797 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.7 mt -79.98 150.48 71.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.525 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.02 168.22 25.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.525 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.96 167.92 78.97 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.023 -0.052 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.51 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 67.3 mm-40 -137.73 110.44 7.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.484 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.8 mp -83.42 137.33 21.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.593 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 57.7 m-85 -143.5 128.66 18.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 80' ' ' SER . 29.0 t-20 -85.95 96.85 9.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 78' ' ' ASN . 39.1 mt-10 66.48 -59.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 78' ' ' ASN . 1.5 t -147.41 -41.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.85 169.17 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.522 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 1.7 t80 -107.2 139.38 41.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -109.39 -56.97 2.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.421 ' HA2' ' CZ ' ' A' ' 82' ' ' TYR . . . 173.74 -177.14 46.18 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.9 p-10 -111.19 -178.57 3.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 0.745 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.43 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -40.82 -37.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 111.001 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -60.94 -54.81 40.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.81 -33.31 74.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -64.8 -39.37 93.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 111.039 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -72.16 -48.37 43.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -56.75 -48.46 77.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.51 -21.2 66.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.476 ' HA ' HG23 ' A' ' 98' ' ' VAL . 17.6 ttp180 -77.82 -56.26 4.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.423 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 1.9 mm-40 -53.68 -35.17 60.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -86.19 10.81 13.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 40.58 54.72 2.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -142.0 17.35 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.614 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -46.61 -54.03 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -46.08 -44.92 15.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.37 -37.39 86.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -73.11 -9.83 59.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.484 ' CD2' HG21 ' A' ' 76' ' ' ILE . 28.6 mt -113.0 -0.7 14.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.64 20.44 75.69 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.437 HD11 HG13 ' A' ' 10' ' ' ILE . 22.7 mt -94.8 -175.23 3.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 0.739 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 33.3 m -111.16 150.55 29.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -102.21 151.85 38.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.03 147.49 33.89 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.4 Cg_endo -74.97 107.35 2.46 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 108.92 49.72 0.77 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 113' ' ' ALA . 0.4 OUTLIER -151.62 157.86 42.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 0.792 . . . . 0.0 110.002 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.628 ' O ' HG12 ' A' ' 115' ' ' VAL . 0.1 OUTLIER -40.41 -58.3 1.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -42.58 -43.24 3.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 110' ' ' SER . . . -77.55 -38.3 48.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -62.56 -62.9 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.628 HG12 ' O ' ' A' ' 111' ' ' LYS . 13.1 p -69.51 66.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.1 t -174.63 148.95 1.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -170.79 -155.65 10.68 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.557 1.16 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 55.82 4.04 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.529 1.805 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 40.6 t -169.33 96.05 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 m -64.34 -60.21 3.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.98 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -57.25 119.49 6.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.956 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -152.58 114.3 4.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.44 148.07 23.05 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -166.74 90.75 0.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -144.13 155.76 44.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.984 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.23 -142.33 3.63 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.54 1.15 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.458 ' CE ' ' HA ' ' A' ' 104' ' ' LEU . 2.0 mtp 39.22 84.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.492 HG13 ' OE2' ' A' ' 42' ' ' GLU . 1.6 t -92.87 130.7 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 10' ' ' ILE . 9.5 mm -98.15 105.72 17.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -101.1 124.33 46.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.345 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.9 t -109.49 137.26 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 14.7 m-85 -104.97 95.04 5.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 46' ' ' ILE . 1.9 pt -104.91 -178.93 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -130.04 73.44 1.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 15' ' ' ALA . 4.1 t -33.7 -46.1 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.015 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.68 ' HB3' ' HB1' ' A' ' 47' ' ' ALA . 5.0 t -68.33 -68.28 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.043 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 17' ' ' SER . 1.1 p 47.08 -174.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.034 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -150.46 20.72 1.05 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -147.82 137.96 22.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 22' ' ' ALA . 2.0 m -65.47 -48.82 71.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.397 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 21' ' ' THR . . . -39.65 -57.35 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.6 mt -53.98 -61.79 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 23' ' ' ILE . 36.1 mtmt -40.28 -53.24 2.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -55.61 -64.8 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 29' ' ' ASP . 39.8 mttm -40.82 -58.59 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.431 ' OE1' ' N ' ' A' ' 15' ' ' ALA . 28.3 mt-30 -50.02 -39.5 41.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 25' ' ' LYS . 35.6 mt-30 -71.57 -21.73 61.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 26' ' ' LYS . 2.8 t0 -79.32 -32.31 43.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -81.35 -34.39 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.4 mt -77.47 -55.22 5.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.55 -40.55 32.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.521 ' CE2' HG11 ' A' ' 98' ' ' VAL . 62.7 t80 -63.18 -57.21 11.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.587 HD22 HG21 ' A' ' 39' ' ' ILE . 33.3 mt -57.47 -24.41 55.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -80.45 -44.66 18.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.49 -29.72 69.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -88.78 2.76 52.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 49.14 50.79 17.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.587 HG21 HD22 ' A' ' 34' ' ' LEU . 37.2 mt -92.2 145.86 7.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.76 75.6 2.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.516 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 52.5 p90 -106.97 175.81 5.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 111.024 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.492 ' OE2' HG13 ' A' ' 9' ' ' VAL . 1.3 mt-10 -130.3 138.74 50.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -92.24 114.99 27.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 14' ' ' ILE . 13.8 mmmt -115.01 115.18 26.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -89.53 127.74 35.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.631 HD11 ' HG3' ' A' ' 73' ' ' PRO . 9.2 pt -93.29 -32.83 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.68 ' HB1' ' HB3' ' A' ' 17' ' ' SER . . . -55.34 -61.4 2.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.8 50.47 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 172.28 92.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -66.89 -51.99 48.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.444 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 15.5 pt-20 -38.16 -51.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.444 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 7.6 m-20 -57.78 -55.75 30.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -56.62 -56.29 23.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 0.8 OUTLIER -48.34 -67.66 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.459 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 87.3 t90 -47.05 -57.37 5.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 107.987 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.574 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 11.7 ttp -44.96 -46.49 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.485 ' NE ' ' CG ' ' A' ' 70' ' ' TYR . 15.3 mtt180 -60.01 -41.44 92.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.29 -16.41 62.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.459 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 2.4 m-80 -91.68 -48.23 6.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.806 HG11 ' HG3' ' A' ' 71' ' ' PRO . 19.7 t -42.84 132.56 3.03 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.487 ' HD3' ' CG ' ' A' ' 82' ' ' TYR . 18.1 Cg_endo -75.04 150.84 38.55 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.789 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -63.47 -27.67 69.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -76.3 -5.92 49.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.2 m -115.42 -12.06 11.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.012 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -72.2 150.33 92.09 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -178.2 4.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.798 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -51.04 -51.13 56.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.258 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.1 t -151.13 151.52 32.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.14 -159.4 28.75 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.453 1.095 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.485 ' CG ' ' NE ' ' A' ' 57' ' ' ARG . 83.9 m-85 -92.99 161.68 30.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.76 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.806 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.0 119.66 5.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.788 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 47.4 mt -73.83 151.29 88.76 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.631 ' HG3' HD11 ' A' ' 46' ' ' ILE . 18.3 Cg_endo -75.0 167.46 26.99 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -75.03 173.41 58.05 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.002 0.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.426 ' HG2' ' HA ' ' A' ' 73' ' ' PRO . 53.0 mm-40 -143.78 110.43 5.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.251 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.515 HD11 ' HB2' ' A' ' 89' ' ' PHE . 2.8 mp -76.47 138.79 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.574 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 7.3 m-85 -149.03 129.48 13.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 81' ' ' GLN . 23.9 t-20 -90.12 99.2 12.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 59.77 -83.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -124.29 -10.01 7.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.996 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -96.09 161.3 14.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.28 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.508 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 2.2 t80 -102.45 150.87 22.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.48 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 30.7 mmm180 -119.51 -61.94 1.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.508 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 178.38 -171.73 44.09 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -111.09 -176.64 3.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 0.0 109.322 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.465 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 0.7 OUTLIER -47.09 -36.8 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -61.37 -52.92 62.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.5 -32.96 74.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.515 ' HB2' HD11 ' A' ' 76' ' ' ILE . 18.5 t80 -63.85 -38.99 93.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -72.7 -48.88 35.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -56.41 -54.82 41.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.91 -21.97 23.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.621 ' HA ' HG23 ' A' ' 98' ' ' VAL . 21.3 ttp180 -80.32 -45.87 17.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -58.25 -38.29 76.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.262 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -86.23 9.8 16.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 45.69 55.66 6.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -141.52 19.27 2.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.621 HG23 ' HA ' ' A' ' 93' ' ' ARG . 1.4 t -49.08 -53.76 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.563 ' CE1' ' HD3' ' A' ' 107' ' ' PRO . 46.5 m-85 -51.6 -41.44 61.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.52 -27.64 65.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -83.41 -9.1 59.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.414 ' O ' HD11 ' A' ' 10' ' ' ILE . 43.2 mt -105.63 -3.55 22.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.05 14.84 76.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.458 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 5.1 mt -90.29 -174.01 4.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.572 ' O ' HG23 ' A' ' 105' ' ' THR . 0.4 OUTLIER -126.93 12.09 7.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.395 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 66.32 149.44 0.12 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.563 ' HD3' ' CE1' ' A' ' 99' ' ' TYR . 18.3 Cg_endo -74.97 153.34 41.86 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.566 1.824 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.3 Cg_endo -74.97 55.19 3.85 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.461 1.769 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 171.48 39.33 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -133.66 159.94 39.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 0.0 109.995 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.844 ' O ' HG13 ' A' ' 115' ' ' VAL . 0.5 OUTLIER -47.6 -47.69 28.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.33 -28.08 26.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 110' ' ' SER . . . -92.91 -43.09 9.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -61.28 -46.25 91.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.328 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.844 HG13 ' O ' ' A' ' 111' ' ' LYS . 10.8 m -58.0 -160.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.5 t -47.48 -58.0 4.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 99.32 98.84 2.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -24.89 12.39 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.5 m -171.03 121.36 0.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.79 110.63 3.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.51 168.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.783 . . . . 0.0 109.967 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.73 154.31 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 110.03 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.37 84.36 0.82 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.97 169.46 6.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.759 . . . . 0.0 110.028 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -43.53 165.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.045 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.13 -139.28 9.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.552 1.157 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 103' ' ' GLY . 48.8 mtm 58.25 84.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 0.739 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.499 HG11 ' HE ' ' A' ' 11' ' ' ARG . 1.3 t -81.5 140.01 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.496 HG12 HD21 ' A' ' 104' ' ' LEU . 7.8 mm -103.64 104.91 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.499 ' HE ' HG11 ' A' ' 9' ' ' VAL . 24.6 mtt180 -101.46 135.1 43.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.67 136.96 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 19.9 m-85 -103.52 96.96 7.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 44' ' ' LYS . 1.9 pt -105.11 -179.62 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -128.32 70.56 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 15' ' ' ALA . 6.8 t -32.91 -41.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.976 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.466 ' HB2' ' HB1' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -71.7 -69.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.986 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 47.25 -173.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -144.86 15.97 1.97 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.86 163.58 31.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 0.781 . . . . 0.0 109.997 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.6 m -90.43 -40.62 11.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.39 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.18 -54.61 15.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.0 mt -51.88 -59.87 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -44.2 -40.1 4.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -69.66 -65.61 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -41.03 -57.09 2.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -51.51 -44.64 62.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 110.343 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -67.25 -26.09 66.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -73.64 -29.14 62.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.512 HG21 ' HG2' ' A' ' 74' ' ' PRO . 57.6 t -83.71 -31.03 7.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.1 mt -80.56 -54.04 6.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.85 -44.82 31.59 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.51 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 49.0 t80 -59.9 -55.93 27.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 0.799 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.666 HD22 HG21 ' A' ' 39' ' ' ILE . 67.2 mt -58.11 -22.38 50.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -83.35 -45.44 13.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.5 -27.53 67.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -94.18 5.73 50.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 45.88 52.63 9.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.352 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.666 HG21 HD22 ' A' ' 34' ' ' LEU . 36.5 mt -92.47 148.5 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.43 75.3 2.34 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 49.3 p90 -108.0 176.23 5.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 0.723 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 10' ' ' ILE . 2.8 mm-40 -132.15 150.56 52.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -104.86 110.58 23.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 14' ' ' ILE . 12.7 mmmt -110.94 117.55 33.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.496 ' OD1' ' HB3' ' A' ' 47' ' ' ALA . 0.5 OUTLIER -92.8 121.94 34.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.526 HD12 ' HG3' ' A' ' 53' ' ' ARG . 15.2 pt -87.13 -28.89 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.496 ' HB3' ' OD1' ' A' ' 45' ' ' ASP . . . -51.8 -73.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.47 ' N ' ' OD2' ' A' ' 45' ' ' ASP . . . -84.26 50.15 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -179.91 91.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.29 -53.72 27.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 11.2 pt-20 -38.03 -52.31 1.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.449 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 9.1 m-20 -55.68 -54.38 44.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.526 ' HG3' HD12 ' A' ' 46' ' ' ILE . 37.9 ttt180 -58.33 -54.69 44.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.306 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.452 ' HA ' ' CZ ' ' A' ' 57' ' ' ARG . 4.4 tttt -53.01 -66.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.427 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 90.0 t90 -46.52 -60.01 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 108.028 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.581 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 11.5 ttp -44.43 -49.24 9.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.588 ' NE ' ' CE1' ' A' ' 70' ' ' TYR . 11.3 mtp180 -56.39 -42.6 78.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.15 -22.15 65.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.256 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 3.3 m-80 -85.0 -52.51 5.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.844 HG11 ' HG3' ' A' ' 71' ' ' PRO . 48.7 t -40.1 131.07 1.59 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 150.17 38.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.434 1.755 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -55.31 -47.73 75.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -56.2 -18.61 10.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -101.33 -27.11 13.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.618 ' HG3' HG12 ' A' ' 60' ' ' VAL . 4.2 mtt-85 -66.99 140.35 96.02 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.244 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 177.1 9.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.783 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.92 ' O ' HG23 ' A' ' 68' ' ' THR . . . -48.26 -52.33 21.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.92 HG23 ' O ' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -172.36 137.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 115.73 27.88 2.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.558 1.162 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.588 ' CE1' ' NE ' ' A' ' 57' ' ' ARG . 68.0 m-85 57.28 162.71 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.844 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.05 130.88 13.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.515 1.797 . . . . 0.0 111.03 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.762 ' O ' HD12 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -84.89 153.47 60.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.513 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -74.95 167.59 26.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.513 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.04 166.03 84.34 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.988 -0.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -137.02 110.67 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.545 HG21 ' CD2' ' A' ' 102' ' ' LEU . 3.0 mt -84.36 142.22 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.581 ' CE1' ' HG3' ' A' ' 56' ' ' MET . 12.8 m-85 -147.42 129.05 15.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.513 ' O ' ' N ' ' A' ' 80' ' ' SER . 19.9 t-20 -84.68 96.5 9.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 66.78 -59.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.3 OUTLIER -147.92 -39.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -68.13 167.33 14.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.504 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 15.6 t80 -102.16 150.3 23.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -120.32 -53.63 2.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.339 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.504 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 174.45 174.6 41.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.563 1.165 . . . . 0.0 110.99 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 88' ' ' ALA . 25.7 p-10 -103.73 177.34 4.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 109.318 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -39.7 -34.84 0.27 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.48 -53.3 54.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 85' ' ' ASP . . . -65.7 -30.23 70.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -65.59 -48.73 71.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -64.89 -49.43 70.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -54.51 -54.09 45.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.26 -20.27 40.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.46 ' CA ' HG23 ' A' ' 98' ' ' VAL . 18.9 ttp180 -83.1 -41.18 18.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.44 -40.12 96.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -84.42 7.8 18.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.2 m120 47.65 58.93 4.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -145.47 20.19 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.51 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -50.36 -57.59 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.474 ' N ' HG12 ' A' ' 98' ' ' VAL . 7.9 m-85 -44.78 -41.4 6.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.81 -35.42 76.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 98' ' ' VAL . 22.2 t80 -75.61 -9.88 58.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.545 ' CD2' HG21 ' A' ' 76' ' ' ILE . 29.3 mt -112.84 2.37 15.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.4 ' O ' ' SD ' ' A' ' 8' ' ' MET . . . 67.78 16.9 68.66 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.496 HD21 HG12 ' A' ' 10' ' ' ILE . 21.0 mt -92.0 -174.1 3.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 109.348 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 41.9 m -112.29 149.22 32.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.449 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -97.99 150.71 37.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.442 ' HD3' ' CE2' ' A' ' 99' ' ' TYR . 18.3 Cg_endo -75.02 147.01 33.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.78 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.3 Cg_endo -74.97 97.28 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 121.31 41.45 0.5 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.112 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 113' ' ' ALA . 0.6 OUTLIER -140.3 157.86 44.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 110.007 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.75 -52.69 2.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.492 ' O ' HG23 ' A' ' 115' ' ' VAL . 2.6 mt-10 -47.42 -44.44 24.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 110' ' ' SER . . . -74.51 -46.85 36.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 115' ' ' VAL . 22.8 mm-40 -53.63 -68.67 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.53 HG11 ' HG3' ' A' ' 118' ' ' PRO . 25.5 t 40.35 89.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.7 t -52.52 -61.89 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -154.01 101.6 0.21 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.53 ' HG3' HG11 ' A' ' 115' ' ' VAL . 18.3 Cg_endo -75.05 120.55 6.1 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.69 120.39 6.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 109.952 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.7 t -156.64 161.31 39.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.008 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 p -176.97 165.61 2.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 0.782 . . . . 0.0 110.046 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.3 t -169.43 160.98 9.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 110.025 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.47 -126.53 2.59 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.5 m 58.15 103.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 0.744 . . . . 0.0 109.977 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.66 127.09 45.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.56 -154.75 25.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.5 ptt? -155.81 86.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.753 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.412 ' CG1' ' OE2' ' A' ' 42' ' ' GLU . 1.3 t -88.06 133.85 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.353 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.552 HG12 HD21 ' A' ' 104' ' ' LEU . 9.3 mm -98.43 106.28 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -100.81 125.44 47.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.4 t -112.43 126.85 69.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.585 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 10.2 m-85 -98.41 100.65 11.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.451 HG21 ' HB3' ' A' ' 27' ' ' GLN . 2.8 pt -105.05 170.85 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -116.62 63.39 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 17' ' ' SER . 32.7 t -37.31 120.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.042 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.2 OUTLIER 82.69 37.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.5 t -74.64 157.41 35.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.98 55.78 1.14 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -171.99 101.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.2 m -42.62 -50.89 5.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.372 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.05 -56.99 2.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 24' ' ' LYS . 3.9 mt -52.65 -59.89 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 23' ' ' ILE . 28.8 mtmt -38.58 -51.82 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -64.53 -62.26 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.579 ' O ' HG23 ' A' ' 30' ' ' VAL . 46.2 mttt -39.11 -46.37 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.451 ' HB3' HG21 ' A' ' 14' ' ' ILE . 29.7 mt-30 -67.31 -42.15 84.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -65.84 -43.33 88.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 28' ' ' GLN . 15.6 t0 -60.64 -26.28 66.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 26' ' ' LYS . 54.5 t -84.45 -39.47 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.6 mt -74.03 -55.75 5.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.64 -40.25 32.28 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.508 1.13 . . . . 0.0 110.956 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.68 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 66.0 t80 -63.0 -55.25 27.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.791 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.656 HD22 HG21 ' A' ' 39' ' ' ILE . 51.3 mt -60.27 -25.38 65.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -80.6 -45.52 17.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.26 -33.04 75.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -88.73 8.55 28.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 43.71 48.13 6.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.656 HG21 HD22 ' A' ' 34' ' ' LEU . 23.2 mt -87.13 151.87 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -89.51 75.15 1.87 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.477 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 38.7 p90 -106.52 175.39 5.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.412 ' OE2' ' CG1' ' A' ' 9' ' ' VAL . 1.9 mt-10 -131.52 141.36 49.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -96.09 117.83 31.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 14' ' ' ILE . 14.8 mmmt -118.57 115.27 24.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -90.48 123.6 34.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.653 HD12 ' HG3' ' A' ' 53' ' ' ARG . 20.1 pt -91.91 -13.88 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.47 -61.87 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.15 51.95 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 170.27 101.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.67 -49.54 30.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 9.2 pt-20 -39.32 -47.6 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.464 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 11.4 m-20 -60.98 -59.6 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.653 ' HG3' HD12 ' A' ' 46' ' ' ILE . 15.8 ttt180 -52.73 -50.52 63.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 10.2 tttt -56.29 -70.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.595 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 64.6 t90 -42.81 -55.6 3.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 108.053 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.588 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 12.3 ttp -45.02 -49.67 11.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.501 ' NE ' ' CD1' ' A' ' 70' ' ' TYR . 7.7 mtp180 -59.62 -42.82 93.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.99 -21.14 66.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.595 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.8 m-80 -86.82 -48.43 8.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.786 HG11 ' HG3' ' A' ' 71' ' ' PRO . 48.1 t -46.65 133.57 8.12 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.94 151.82 40.31 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -63.08 -34.42 77.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -69.78 -8.17 45.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 m -112.12 -24.03 10.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -62.31 137.85 96.09 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.407 1.067 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.417 ' HG3' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo -74.98 -161.63 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.511 1.795 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -105.34 -51.18 3.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.661 HG23 ' H ' ' A' ' 69' ' ' GLY . 0.1 OUTLIER -42.06 -71.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.661 ' H ' HG23 ' A' ' 68' ' ' THR . . . 170.39 123.35 0.68 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.501 ' CD1' ' NE ' ' A' ' 57' ' ' ARG . 36.6 m-85 59.09 149.29 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 111.048 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.786 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.1 Cg_endo -74.96 129.09 12.05 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.6 mt -83.26 148.71 56.68 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.505 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.01 167.59 26.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.505 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -75.0 165.83 84.9 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.013 -2.495 . . . . 0.0 111.009 0.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.532 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 45.6 mm-40 -136.91 110.72 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.792 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.8 mp -81.85 131.56 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.588 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 49.1 m-85 -138.35 128.52 25.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 80' ' ' SER . 16.8 t-20 -85.4 97.49 10.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 66.38 -61.22 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.335 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -146.21 -40.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.27 168.96 6.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.575 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 15.7 t80 -102.42 143.58 31.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -115.15 -49.25 2.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.575 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 168.37 -177.31 42.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -112.15 -171.71 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.56 ' CD1' ' HD3' ' A' ' 26' ' ' LYS . 2.2 t80 -51.62 -38.36 54.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.49 -48.97 79.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.99 -38.0 82.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -58.34 -51.79 68.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -59.37 -47.44 85.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -59.34 -48.57 81.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.03 -20.63 62.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.42 ' N ' HG23 ' A' ' 98' ' ' VAL . 11.9 ttp85 -79.64 -54.58 5.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.456 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 1.5 mm-40 -52.93 -36.9 60.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -85.87 9.81 15.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 42.41 51.05 4.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.75 19.98 2.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.68 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -49.58 -56.17 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.48 ' CD2' ' OE2' ' A' ' 112' ' ' GLU . 5.5 m-85 -46.22 -43.81 15.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.949 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.7 86.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -72.53 -10.82 60.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.792 ' CD2' HG21 ' A' ' 76' ' ' ILE . 30.2 mt -112.7 2.85 16.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 66.32 21.32 70.22 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.552 HD21 HG12 ' A' ' 10' ' ' ILE . 21.7 mt -95.6 -176.24 3.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 28.2 m -110.76 150.08 29.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.399 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -99.77 148.51 34.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.355 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.01 147.07 33.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.777 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.2 Cg_endo -75.06 77.73 3.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.52 1.8 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 138.35 50.93 0.06 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.442 ' H ' ' HB3' ' A' ' 113' ' ' ALA . 0.6 OUTLIER -145.65 174.24 11.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 110.054 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.82 -47.26 77.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.48 ' OE2' ' CD2' ' A' ' 99' ' ' TYR . 3.8 mp0 -55.03 -28.97 56.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.252 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.442 ' HB3' ' H ' ' A' ' 110' ' ' SER . . . -89.09 -41.63 12.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.57 -65.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.353 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.4 t 56.9 107.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 117' ' ' GLY . 3.4 t -89.06 107.39 19.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 116' ' ' SER . . . -37.46 98.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 164.5 33.16 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.553 1.817 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 69.7 m -125.31 96.71 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.6 p -168.05 164.87 13.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.963 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -174.42 86.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 109.966 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.45 -59.04 2.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.014 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.52 147.62 6.85 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.13 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.43 163.07 0.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 0.0 109.974 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.3 104.92 3.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.21 -176.92 48.18 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.579 1.174 . . . . 0.0 111.028 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 ptt? -141.19 85.17 1.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.1 t -86.2 141.68 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.663 HG12 HD21 ' A' ' 104' ' ' LEU . 9.3 mm -106.61 106.14 20.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -101.12 123.22 44.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.5 t -109.04 129.67 63.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -100.76 99.16 9.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 46' ' ' ILE . 2.7 pt -104.97 169.48 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -112.98 63.66 0.64 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.138 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 17' ' ' SER . 35.5 t -38.79 125.61 1.47 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 110.026 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.2 OUTLIER 82.68 41.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 m -75.45 172.33 12.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.038 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.41 -49.66 1.98 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -72.36 117.78 14.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.5 m -54.15 -41.32 68.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.386 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.66 -54.39 6.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.3 mt -53.07 -60.81 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -39.8 -51.49 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -63.71 -61.04 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -41.39 -58.97 1.7 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.41 ' HB3' HG21 ' A' ' 14' ' ' ILE . 30.1 mt-30 -51.83 -50.95 59.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -64.2 -19.04 65.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 25' ' ' LYS . 2.6 t70 -79.55 -34.88 40.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.482 HG22 ' CD2' ' A' ' 89' ' ' PHE . 79.7 t -80.42 -34.08 14.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 78.8 mt -76.16 -52.76 9.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -51.88 -38.46 46.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.605 ' CZ ' HG11 ' A' ' 98' ' ' VAL . 48.2 t80 -63.98 -51.04 66.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 0.745 . . . . 0.0 111.058 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.644 HD23 HD12 ' A' ' 39' ' ' ILE . 39.2 mt -64.28 -19.9 65.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -86.01 -42.0 14.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.0 -31.47 66.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -86.72 0.22 55.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt 52.1 49.62 20.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.644 HD12 HD23 ' A' ' 34' ' ' LEU . 78.6 mt -91.85 155.66 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.96 75.81 1.39 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.564 1.165 . . . . 0.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 34.6 p90 -108.96 176.27 5.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.1 mm-40 -131.74 151.42 51.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -105.2 112.8 26.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.253 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 14' ' ' ILE . 12.4 mmmt -114.7 118.35 33.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -88.77 138.35 31.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 14' ' ' ILE . 20.2 pt -110.55 -15.81 9.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.08 -47.29 68.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.71 -85.77 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -55.59 124.2 16.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.23 -51.14 8.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 9.2 pt-20 -40.29 -47.99 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.488 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 7.5 m-20 -52.36 -54.23 34.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.443 ' NE ' HD12 ' A' ' 46' ' ' ILE . 37.0 ttt180 -60.96 -62.68 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -46.09 -64.97 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.483 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 68.0 t90 -44.38 -61.87 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 108.035 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.586 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 15.6 ttp -41.41 -61.66 1.01 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.687 ' CD ' ' CD1' ' A' ' 70' ' ' TYR . 28.3 mtm180 -40.39 -53.08 2.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -52.57 -44.07 65.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 55' ' ' TRP . 26.5 m-80 -63.06 -57.05 11.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.885 HG11 ' HG3' ' A' ' 71' ' ' PRO . 73.4 t -37.41 127.47 0.86 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 148.32 34.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.475 1.776 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.441 ' HA ' ' CD ' ' A' ' 65' ' ' ARG . 12.6 pt-20 -63.86 -25.05 67.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -79.65 -4.83 53.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.2 m -120.4 -4.55 9.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.46 ' HG3' HG12 ' A' ' 60' ' ' VAL . 5.6 mtt180 -78.41 150.0 76.16 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.402 ' HG3' ' HA ' ' A' ' 71' ' ' PRO . 18.2 Cg_endo -75.0 -178.5 4.21 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.541 1.811 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.414 ' O ' ' HB ' ' A' ' 68' ' ' THR . . . -52.53 -51.08 61.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 67' ' ' ALA . 8.2 t -175.95 136.21 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.374 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 70' ' ' TYR . . . 116.59 33.72 1.39 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.687 ' CD1' ' CD ' ' A' ' 57' ' ' ARG . 79.8 m-85 55.21 163.29 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.885 ' HG3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.97 128.41 11.48 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.546 1.813 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 72' ' ' LEU . 15.6 mt -87.21 154.14 54.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.531 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.5 Cg_endo -74.95 168.65 24.36 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.531 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -74.99 159.93 97.29 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 121.02 -2.492 . . . . 0.0 110.964 -0.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.403 ' NE2' ' O ' ' A' ' 72' ' ' LEU . 54.7 mm-40 -129.96 112.31 13.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.238 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.61 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.8 mp -88.35 138.14 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.586 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 13.8 m-85 -143.66 128.64 18.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.962 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 80' ' ' SER . 22.4 t-20 -84.02 95.77 8.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 65.79 -59.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.1 OUTLIER -148.46 -38.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.45 163.78 15.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -102.44 136.63 41.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -107.35 -56.48 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.31 -170.21 43.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.135 . . . . 0.0 110.979 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -117.88 -176.92 3.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 0.6 OUTLIER -43.96 -35.63 2.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -61.53 -55.81 26.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.5 -34.81 77.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.482 ' CD2' HG22 ' A' ' 30' ' ' VAL . 33.6 t80 -62.87 -45.24 93.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -65.71 -49.02 70.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -56.21 -52.93 62.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.416 ' HB1' ' HA ' ' A' ' 98' ' ' VAL . . . -55.24 -26.61 40.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.083 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.46 ' N ' HG23 ' A' ' 98' ' ' VAL . 0.9 OUTLIER -75.66 -52.31 10.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.281 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.66 -40.49 60.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -87.35 12.51 11.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.1 m120 41.42 63.46 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.52 22.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.605 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -53.45 -52.48 32.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.426 ' N ' HG12 ' A' ' 98' ' ' VAL . 8.7 m-85 -46.23 -47.23 18.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.31 98.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -67.87 -10.89 56.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.61 ' CD2' HG21 ' A' ' 76' ' ' ILE . 32.3 mt -111.91 -0.9 15.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 71.74 17.15 76.48 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.663 HD21 HG12 ' A' ' 10' ' ' ILE . 21.3 mt -91.82 -175.61 4.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 73.2 m -114.64 147.33 39.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -95.96 151.61 38.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.4 Cg_endo -74.94 145.98 32.35 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.2 Cg_endo -75.0 77.58 3.1 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.479 1.778 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 141.95 48.1 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.476 ' O ' ' HB3' ' A' ' 113' ' ' ALA . 0.6 OUTLIER -148.36 163.82 35.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 0.786 . . . . 0.0 109.992 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 115' ' ' VAL . 14.1 tptt -45.68 -56.76 4.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -45.08 -33.2 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 110' ' ' SER . . . -77.54 -47.46 19.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 115' ' ' VAL . 1.9 mt-10 -79.54 -76.94 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 111' ' ' LYS . 3.9 p 35.02 85.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.7 -59.36 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.412 1.07 . . . . 0.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 169.58 151.74 7.5 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 168.62 24.42 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.7 t -133.91 91.97 2.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 84.3 p -171.86 133.89 0.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.977 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.426 1.079 . . . . 0.0 110.973 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.99 115.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 0.784 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t 64.06 94.15 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.95 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.88 104.45 0.18 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 p -92.21 164.13 13.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 0.778 . . . . 0.0 110.019 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.48 83.16 2.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.54 176.6 41.57 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.475 1.109 . . . . 0.0 111.039 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.498 ' CE ' ' O ' ' A' ' 103' ' ' GLY . 96.4 mtp -119.91 91.14 3.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -71.85 140.91 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.243 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 42' ' ' GLU . 12.6 mm -108.28 106.65 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.3 mtt-85 -100.95 131.52 46.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.848 HG13 ' O ' ' A' ' 75' ' ' GLN . 13.7 t -119.75 130.77 73.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.419 ' CD2' ' HB2' ' A' ' 56' ' ' MET . 20.5 m-85 -100.29 100.71 11.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.424 ' N ' ' O ' ' A' ' 44' ' ' LYS . 3.1 pt -105.32 161.9 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.508 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -109.06 62.4 0.6 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' ALA . 42.5 t -38.15 130.2 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.015 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.69 27.4 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.016 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.9 t -52.46 -68.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.51 -46.64 0.99 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.5 109.41 10.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.052 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.8 m -42.05 -40.72 2.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.71 -64.08 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' LYS . 4.1 mt -51.63 -61.13 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ILE . 41.1 mtmt -40.06 -50.75 2.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -60.59 -64.77 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -42.54 -57.17 2.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -52.74 -41.13 63.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -74.76 -18.44 60.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 25' ' ' LYS . 5.7 t70 -83.58 -35.38 24.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.486 HG21 ' HG2' ' A' ' 74' ' ' PRO . 89.4 t -79.21 -31.13 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.6 mt -81.53 -51.69 8.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.71 -33.45 59.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.433 ' CE1' ' ND2' ' A' ' 37' ' ' ASN . 46.0 t80 -65.82 -56.06 13.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 0.801 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.56 HD22 HG21 ' A' ' 39' ' ' ILE . 16.3 mt -58.6 -24.13 60.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -80.34 -41.36 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.6 -26.87 62.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.433 ' ND2' ' CE1' ' A' ' 33' ' ' PHE . 35.1 m-80 -93.58 1.03 56.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 51.63 51.3 16.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.56 HG21 HD22 ' A' ' 34' ' ' LEU . 46.5 mt -95.02 148.51 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.65 77.87 2.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 34' ' ' LEU . 48.1 p90 -108.12 176.22 5.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.9 OUTLIER -130.98 149.64 52.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 0.0 110.279 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -106.45 114.1 28.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 14' ' ' ILE . 11.1 mmmt -114.48 119.26 36.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.56 131.32 34.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.508 HD11 ' HB2' ' A' ' 15' ' ' ALA . 25.6 pt -102.93 -23.15 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.63 -73.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.87 -79.34 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -54.42 123.96 14.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 51' ' ' GLU . 1.1 tp10 -86.36 -53.21 5.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 52' ' ' ASN . 11.2 pt-20 -38.46 -52.7 1.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.431 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 9.6 m-20 -52.57 -53.09 51.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.466 ' NE ' HD12 ' A' ' 46' ' ' ILE . 47.0 ttt180 -60.77 -58.03 10.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 55' ' ' TRP . 0.7 OUTLIER -50.11 -67.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.603 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 82.5 t90 -43.32 -54.73 4.46 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.584 ' HG3' ' CE2' ' A' ' 77' ' ' PHE . 6.7 ttp -52.2 -49.19 64.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.565 ' HD2' ' CD1' ' A' ' 70' ' ' TYR . 77.5 mtm180 -58.22 -28.88 65.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -88.88 -15.44 34.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.287 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.603 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.0 OUTLIER -82.78 -54.99 4.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.541 HG21 ' CG ' ' A' ' 71' ' ' PRO . 92.4 t -39.86 135.68 1.28 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.519 ' HD3' ' CG ' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -74.99 149.18 36.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -64.39 -16.2 61.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.71 -12.58 53.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.516 ' HG ' ' HE1' ' A' ' 82' ' ' TYR . 2.0 m -110.67 -23.68 10.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -58.51 143.8 80.22 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.274 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.93 19.32 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.524 1.802 . . . . 0.0 111.028 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.66 -45.5 19.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.6 t -175.13 139.36 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.389 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.86 26.62 3.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.565 ' CD1' ' HD2' ' A' ' 57' ' ' ARG . 31.4 m-85 54.75 166.71 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.541 ' CG ' HG21 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.96 118.29 5.22 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 111.036 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.797 ' O ' HD12 ' A' ' 72' ' ' LEU . 1.5 pp -81.81 149.37 63.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.541 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -74.98 169.64 22.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.541 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.04 171.82 66.17 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.012 0.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.848 ' O ' HG13 ' A' ' 12' ' ' VAL . 42.1 mm-40 -132.34 137.45 47.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.619 HG22 ' HB2' ' A' ' 83' ' ' ARG . 3.9 mp -104.55 103.95 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.584 ' CE2' ' HG3' ' A' ' 56' ' ' MET . 37.6 m-85 -117.6 129.0 55.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.506 ' O ' ' N ' ' A' ' 80' ' ' SER . 25.6 t-20 -89.65 96.68 10.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 78' ' ' ASN . 70.5 mt-10 67.16 -56.99 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -149.78 -39.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.962 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.54 163.47 13.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.526 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 31.1 t80 -101.76 141.72 34.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.619 ' HB2' HG22 ' A' ' 76' ' ' ILE . 26.8 mmm180 -114.47 -44.46 3.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.526 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . 159.47 -179.98 34.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.133 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.5 p-10 -101.36 -171.11 1.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.425 ' CB ' ' HD2' ' A' ' 74' ' ' PRO . 0.2 OUTLIER -51.75 -42.53 62.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.417 ' N ' ' CD1' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -55.3 -43.62 75.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.49 -40.59 73.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.472 ' CD2' HG22 ' A' ' 30' ' ' VAL . 15.5 t80 -57.88 -51.65 68.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -60.52 -52.71 64.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -51.32 -56.02 15.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.72 -29.13 37.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.523 ' CA ' HG23 ' A' ' 98' ' ' VAL . 42.6 ttp180 -74.28 -48.52 27.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -52.74 -40.69 63.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -86.99 11.11 14.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 45.54 58.06 4.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -141.54 15.86 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.523 HG23 ' CA ' ' A' ' 93' ' ' ARG . 0.9 OUTLIER -45.45 -59.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.508 ' N ' HG12 ' A' ' 98' ' ' VAL . 8.0 m-85 -43.95 -44.8 7.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.32 95.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CE2' HG21 ' A' ' 76' ' ' ILE . 30.0 t80 -67.28 -11.97 58.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.585 ' CD2' HG21 ' A' ' 76' ' ' ILE . 33.0 mt -109.89 -3.21 16.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.498 ' O ' ' CE ' ' A' ' 8' ' ' MET . . . 73.8 13.57 80.51 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.448 1.092 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.8 mt -88.69 -174.43 4.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 76.0 m -117.82 146.12 44.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.386 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -95.81 148.76 35.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 152.09 40.04 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.462 1.77 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 55.96 4.09 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 168.27 40.76 0.03 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 110.973 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.4 ' OG ' ' N ' ' A' ' 111' ' ' LYS . 1.0 OUTLIER -130.3 173.24 10.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 0.0 110.032 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.4 ' N ' ' OG ' ' A' ' 110' ' ' SER . 2.0 tptt -65.95 -29.37 69.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.497 ' OE2' ' CD2' ' A' ' 99' ' ' TYR . 1.3 mp0 -71.1 -28.97 64.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -92.05 -34.67 14.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 116' ' ' SER . 63.9 mm-40 -73.05 -62.01 1.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 116' ' ' SER . 81.6 t 59.23 -85.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 114' ' ' GLU . 0.2 OUTLIER 78.64 113.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.005 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 109.53 148.81 12.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -47.95 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.476 1.777 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 80.9 p -66.41 -62.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.013 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.9 t 63.59 80.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.996 . . . . . . . . 0 0 . 1 stop_ save_