data_1qn0_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 1qn0 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.428 ' CG ' ' N ' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -57.33 -162.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.428 ' N ' ' CG ' ' A' ' 6' ' ' ASP . . . 68.81 28.73 72.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.422 1.076 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.46 136.83 32.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -118.1 139.82 50.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.093 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.8 mt -114.03 133.11 61.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -163.07 86.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -115.33 -26.09 7.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.6 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.4 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -88.76 111.02 21.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.418 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.9 t -96.84 139.02 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.418 HG11 ' N ' ' A' ' 24' ' ' PHE . 90.0 t -99.55 142.01 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.418 ' N ' HG11 ' A' ' 23' ' ' VAL . 51.9 t80 -136.22 153.41 51.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 40.7 t-20 -138.23 139.54 39.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.453 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 13.0 m80 -86.64 -21.78 26.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.614 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.39 4.59 17.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.011 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.7 m -100.95 -39.75 7.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -100.44 23.01 10.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.613 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -56.42 -19.4 14.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.0 2.69 53.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.7 t -115.0 129.61 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -51.72 158.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.8 m -73.99 -43.47 57.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 108.312 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -65.62 -10.03 32.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -64.82 -18.01 64.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 81.6 m -131.73 -49.27 0.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 108.344 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -76.93 81.85 3.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.579 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.444 ' O ' ' CG ' ' A' ' 39' ' ' HIS . 3.8 p80 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 109.646 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 . . . . . 0 N--CA 1.448 -0.536 0 CA-C-O 118.909 -0.567 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.09 169.76 13.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.43 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -60.17 143.99 47.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.9 m -79.63 -30.14 41.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 51.6 p -91.23 20.45 5.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 30.3 m -67.16 155.41 38.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.43 152.99 7.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.38 17.99 34.53 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.3 m -131.95 -135.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.403 ' O ' ' HA ' ' A' ' 50' ' ' THR . 44.2 m-70 -89.84 47.4 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.585 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -87.85 66.26 8.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.404 ' CG1' ' O ' ' A' ' 66' ' ' ASN . 3.8 mm -133.78 109.2 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 72.2 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 tttt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.77 159.19 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 p -81.27 4.03 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.404 ' O ' ' CG1' ' A' ' 57' ' ' ILE . 27.9 m120 -97.78 12.46 33.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 p -78.33 133.75 37.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.038 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 28.1 t-105 -95.47 15.51 19.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 107.945 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.624 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 13.2 t80 -122.96 -1.21 8.87 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.819 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 2.7 ttmm -107.25 -39.34 5.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 35.6 m -69.57 -4.58 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.8 t -104.96 -47.21 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -103.9 31.42 4.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.581 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 N--CA 1.448 -1.18 0 N-CA-C 109.562 -0.976 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.4 p -131.08 -164.32 1.42 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.442 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.8 m -78.26 -1.9 35.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 108.319 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 88' ' ' LYS . 10.0 mm -112.96 -44.19 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.13 -60.48 3.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 110.011 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.7 t -61.56 -58.89 6.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -45.61 -38.29 6.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.585 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 84' ' ' ILE . 4.3 mmtt -60.53 -47.91 84.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.82 -39.82 74.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -63.13 -43.81 97.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -78.31 -20.88 50.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -86.11 22.58 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -142.92 46.66 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 107' ' ' SER . 7.4 ptmt -167.83 -45.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.458 ' CD1' HD13 ' A' ' 97' ' ' LEU . 11.3 mt -90.06 -32.49 16.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.4 p -122.26 1.19 9.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.401 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.411 ' O ' ' OG ' ' A' ' 107' ' ' SER . . . -56.35 114.93 5.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.58 -47.13 87.57 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.6 ttmt -124.43 132.34 53.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.34 45.58 14.33 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 103' ' ' GLY . 30.3 p -115.47 176.27 5.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.957 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.67 -6.0 41.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 97.3 m -103.42 -46.28 4.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 108.352 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -116.82 83.88 14.95 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.596 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -89.74 70.48 1.86 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.321 3.347 . . . . 0.0 109.595 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 110.034 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -69.44 -179.35 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.48 46.24 56.51 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.94 116.0 28.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -80.49 139.95 36.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 24' ' ' PHE . 14.3 mt -119.1 128.81 75.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -164.09 95.75 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -116.3 -27.36 6.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 95.4 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.2 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -126.24 120.21 29.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.3 t -97.13 150.11 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.0 t -113.62 142.98 24.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.456 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 24.1 t80 -129.6 171.98 12.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -163.65 121.67 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -74.45 -11.16 60.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.564 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 87.2 p -92.84 19.85 7.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.026 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.6 m -119.38 -37.26 3.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.375 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.402 ' CE1' ' HE1' ' A' ' 24' ' ' PHE . 48.1 m80 -101.91 23.93 10.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.59 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.54 -19.23 14.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -88.06 -1.79 58.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.459 ' CG1' ' CG ' ' A' ' 36' ' ' ASP . 39.1 t -111.39 128.73 67.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -51.29 159.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.9 m -73.85 -43.52 58.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 108.321 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -65.66 -9.57 28.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.459 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 4.2 t70 -64.59 -18.22 64.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 93.4 m -131.31 -49.02 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 108.316 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -76.39 90.32 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.627 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.476 ' O ' ' CG ' ' A' ' 39' ' ' HIS . 2.8 p80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.619 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 . . . . . 0 N--CA 1.449 -0.488 0 CA-C-O 118.908 -0.568 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.81 -177.21 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.427 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -73.46 144.26 34.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.7 m -80.8 -32.83 35.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.7 p -88.99 19.89 3.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 22.9 m -67.1 156.04 37.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.403 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.4 OUTLIER -56.51 153.9 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.0 17.98 24.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 16.3 m -130.84 -132.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -92.55 46.64 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.584 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -86.18 66.11 9.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.2 mm -132.06 108.78 14.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 72.6 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t -176.74 160.54 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.977 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 5.0 p -88.4 38.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -131.04 9.27 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.22 135.02 38.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.17 . . . . 0.0 109.981 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.497 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 40.9 t-105 -92.24 13.34 19.46 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.61 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 14.5 t80 -118.21 -9.31 10.49 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.825 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 6.9 ttmt -99.74 -45.46 5.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 26.9 m -64.71 -8.57 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 74.7 t -103.9 -46.29 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -104.56 32.77 3.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.606 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 N--CA 1.447 -1.24 0 N-CA-C 109.616 -0.955 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.0 p -130.34 -165.03 1.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m -78.03 -2.84 39.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 108.334 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' LYS . 5.7 mm -111.74 -43.99 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.5 -60.85 2.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.018 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 8.8 t -60.57 -57.99 10.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 108.296 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.405 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 7.8 m170 -46.84 -38.92 11.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.622 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 84' ' ' ILE . 7.6 mmtm -59.7 -48.15 82.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -56.08 -40.34 73.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -63.71 -42.77 97.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.53 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -78.8 -20.9 48.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -85.86 21.84 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -140.81 45.84 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 107' ' ' SER . 7.3 ptmt -167.0 -43.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.416 ' CD1' HD13 ' A' ' 97' ' ' LEU . 13.1 mt -93.44 -32.54 14.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.5 p -123.01 4.61 9.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.402 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -60.43 108.43 1.81 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.2 m -51.36 -51.38 55.06 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -124.14 136.84 54.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.72 43.74 22.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.12 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 72.2 p -117.71 177.91 4.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.73 -4.1 32.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 94.7 m -104.95 -46.59 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 108.302 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -117.58 83.37 17.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.589 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -91.62 71.8 0.85 Allowed 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.294 3.329 . . . . 0.0 109.572 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.008 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 5' ' ' ALA . 0.7 OUTLIER -54.3 -171.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.19 41.97 98.13 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.69 110.9 23.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 0.761 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -85.7 138.25 32.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 24' ' ' PHE . 13.0 mt -112.98 130.9 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -161.49 92.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -115.11 -27.76 7.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 75.6 mt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.0 mt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -118.05 110.03 17.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.377 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 23' ' ' VAL . 54.1 t -89.82 145.8 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.41 ' N ' HG11 ' A' ' 22' ' ' VAL . 43.0 t -105.74 127.49 60.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.465 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 17.1 t80 -122.14 168.02 12.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 15.7 t30 -158.0 143.14 16.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.456 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 12.8 m80 -87.45 -27.19 22.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.597 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.403 ' OG ' ' OD1' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -75.14 -0.85 20.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.956 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.45 ' OG1' ' ND2' ' A' ' 25' ' ' ASN . 39.6 m -93.0 -39.45 11.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.461 ' CE1' ' CE1' ' A' ' 24' ' ' PHE . 37.2 m80 -104.63 24.85 11.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.585 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.77 -19.7 18.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.49 -0.75 57.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.469 HG11 ' CB ' ' A' ' 36' ' ' ASP . 35.9 t -109.73 133.69 54.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -54.46 160.04 1.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.3 m -75.07 -42.77 56.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 108.291 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -65.59 -10.08 32.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.272 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.469 ' CB ' HG11 ' A' ' 32' ' ' VAL . 2.5 t70 -64.75 -18.36 64.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 87.0 m -131.77 -49.11 0.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 108.282 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -76.45 77.67 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.585 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.58 ' O ' ' CG ' ' A' ' 39' ' ' HIS . 5.0 p80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.594 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 . . . . . 0 N--CA 1.449 -0.494 0 CA-C-O 118.912 -0.566 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.04 179.81 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.103 . . . . 0.0 109.356 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.428 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -69.56 149.89 48.91 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.7 m -80.95 -32.09 34.63 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.4 p -88.75 19.49 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.427 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 23.7 m -67.43 156.39 36.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.412 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.69 153.5 10.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.53 20.06 29.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.135 . . . . 0.0 111.032 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 51' ' ' THR . 21.1 m -131.98 -132.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -93.09 48.14 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.577 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -87.18 64.86 8.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.2 mm -131.57 109.1 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.8 mt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.7 160.83 2.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.021 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.0 p -86.49 13.52 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -108.49 10.17 27.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 p -75.38 134.45 40.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.986 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.524 ' O ' ' CG ' ' A' ' 68' ' ' TRP . 31.6 t-105 -94.17 14.07 21.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 108.022 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.653 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 5.7 t80 -119.96 -9.27 9.68 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.825 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 7.9 ttmm -99.96 -44.11 6.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 29.9 m -64.25 -8.71 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 80.4 t -102.49 -53.28 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -93.88 25.04 3.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.615 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo . . . . . 0 N--CA 1.447 -1.238 0 N-CA-C 109.619 -0.954 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.8 p -137.23 -165.69 1.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.414 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.9 m -77.25 -3.17 38.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 108.273 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 88' ' ' LYS . 6.2 mm -112.24 -44.33 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.5 -61.57 2.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.95 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 6.9 t -59.98 -57.27 13.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 108.269 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.425 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 10.0 m170 -47.59 -37.35 12.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.57 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 84' ' ' ILE . 8.5 mtpt -61.74 -48.38 80.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -56.99 -40.25 76.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -59.96 -40.91 90.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.177 . . . . 0.0 109.264 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.429 ' O ' ' NZ ' ' A' ' 100' ' ' LYS . 11.7 tt0 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.524 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.8 OUTLIER -74.69 -19.04 60.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -85.87 22.48 1.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -137.35 47.22 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.451 ' HD2' ' CD2' ' A' ' 97' ' ' LEU . 3.4 ptpp? -164.34 -47.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.425 ' HB3' ' ND1' ' A' ' 87' ' ' HIS . 11.3 mt -90.15 -28.98 18.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.0 p -122.76 4.19 9.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.39 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.1 117.01 10.18 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.83 -57.19 14.13 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -121.87 138.48 54.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.15 42.15 29.78 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.1 p -117.8 -179.73 3.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.76 . . . . 0.0 110.038 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.42 -3.96 33.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 77.4 m -104.67 -47.34 4.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 108.284 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -118.01 83.1 18.49 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 109.608 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -92.05 71.91 0.72 Allowed 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.282 3.321 . . . . 0.0 109.616 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.09 -166.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.57 35.93 67.92 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.42 99.94 11.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.47 ' HD3' ' CG2' ' A' ' 21' ' ' THR . 0.0 OUTLIER -72.71 145.61 47.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 109.329 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.4 mt -125.58 125.59 68.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -165.49 92.89 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -115.27 -24.38 8.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.3 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.1 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.47 ' CG2' ' HD3' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -80.94 112.41 18.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 110.367 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.8 t -101.37 144.52 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.0 t -105.05 137.63 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -132.8 150.41 52.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 37.0 t30 -137.03 144.84 43.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.451 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 16.4 m80 -87.24 -25.34 24.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.609 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.401 ' OG ' ' OD1' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -74.67 -1.91 23.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.018 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.6 m -93.59 -40.05 10.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -103.18 23.99 11.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.63 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -57.1 -18.28 14.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -90.99 1.65 56.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.451 HG11 ' CB ' ' A' ' 36' ' ' ASP . 54.0 t -112.1 130.54 65.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -52.25 155.96 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.5 m -71.33 -46.5 60.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 108.306 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.5 p30 -63.17 -10.24 14.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.451 ' CB ' HG11 ' A' ' 32' ' ' VAL . 4.9 t0 -64.23 -18.03 64.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.8 m -131.9 -49.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.308 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.74 82.87 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 109.622 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.432 ' O ' ' CG ' ' A' ' 39' ' ' HIS . 4.4 p80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.585 1.178 . . . . 0.0 109.662 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 . . . . . 0 N--CA 1.449 -0.524 0 CA-C-O 118.922 -0.561 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.36 -176.78 3.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.423 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -74.45 145.64 34.68 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.554 1.159 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.8 m -80.55 -32.63 36.65 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.3 p -88.78 19.26 4.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 24.1 m -67.09 155.86 37.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.403 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 11.2 t0 -56.1 153.65 8.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.63 20.32 31.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.142 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 16.5 m -133.08 -133.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -91.56 48.08 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.59 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -88.99 65.97 7.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.4 mm -132.92 108.89 13.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 67.5 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.936 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.41 163.21 2.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.996 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.3 p -86.16 12.4 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -106.32 11.41 31.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.7 p -77.41 133.63 38.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.007 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.526 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 30.8 t-105 -93.4 13.99 19.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 108.018 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.615 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 15.6 t80 -121.36 -2.01 9.59 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.848 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 4.3 ttmm -105.86 -41.13 5.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.6 m -68.83 -5.29 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.82 -49.18 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -102.28 31.04 4.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.616 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo . . . . . 0 N--CA 1.448 -1.189 0 N-CA-C 109.584 -0.968 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.7 p -132.03 -164.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.357 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.8 m -77.62 -2.82 37.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 108.301 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 88' ' ' LYS . 6.0 mm -111.88 -44.93 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.62 -60.3 3.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.997 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 7.3 t -61.45 -57.37 12.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 108.343 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.41 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 9.8 m170 -47.49 -33.27 6.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.591 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 84' ' ' ILE . 5.0 mtpt -67.51 -48.78 66.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -58.05 -38.46 76.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -59.75 -42.84 94.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.532 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -76.62 -26.74 55.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -84.72 22.83 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -136.91 42.91 2.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt -162.43 -50.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.234 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.41 ' HB3' ' ND1' ' A' ' 87' ' ' HIS . 11.4 mt -83.44 -27.92 29.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 28.4 p -120.75 -2.25 9.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.421 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -49.69 129.12 25.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.444 1.09 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.09 -50.2 12.49 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -121.54 127.04 50.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.93 44.61 13.86 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.1 p -110.49 174.57 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.776 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.14 -9.29 45.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 91.1 m -101.89 -45.32 5.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 108.279 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -117.22 84.08 16.77 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.602 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -91.72 70.39 0.91 Allowed 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.306 3.337 . . . . 0.0 109.635 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.9 -167.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.37 29.51 71.76 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.23 135.85 33.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.792 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -117.92 135.48 54.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.8 mt -114.39 125.31 71.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -158.22 90.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -115.53 -25.29 7.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.9 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.2 mt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.02 114.36 20.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.419 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.0 t -97.08 127.15 49.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.6 t -92.58 139.33 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.435 ' CE1' ' CE1' ' A' ' 29' ' ' HIS . 44.8 t80 -131.82 145.62 51.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.99 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.17 124.19 34.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -74.77 -18.3 60.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.8 p -88.2 15.79 7.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.041 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.8 m -113.17 -33.31 6.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.435 ' CE1' ' CE1' ' A' ' 24' ' ' PHE . 67.5 m80 -103.26 23.07 13.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.629 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -56.69 -18.35 12.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.74 0.64 55.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.495 ' CG1' ' CG ' ' A' ' 36' ' ' ASP . 21.8 t -117.45 128.6 74.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -51.56 159.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.259 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.8 m -73.6 -40.95 63.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 108.333 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -67.61 -8.69 36.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.495 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 4.7 t70 -65.67 -17.8 64.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.7 m -131.24 -48.68 1.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 108.345 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -76.38 88.13 3.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.605 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.57 ' O ' ' CG ' ' A' ' 39' ' ' HIS . 4.0 p80 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.588 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 . . . . . 0 N--CA 1.45 -0.458 0 CA-C-O 118.945 -0.55 . . . . 0.0 109.828 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.91 -175.47 3.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.57 136.59 16.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.1 m -75.35 -32.97 61.05 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 p -89.83 20.43 4.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 54' ' ' CYS . 89.1 m -70.1 156.04 39.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -55.14 151.69 8.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.38 28.38 55.13 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.445 1.091 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 51' ' ' THR . 30.1 m -140.36 -131.76 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -94.43 49.8 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -92.1 67.76 5.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.8 mm -133.89 110.64 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.0 mt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.35 157.9 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.7 p -81.99 4.78 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -98.57 11.47 38.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.358 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 p -76.81 133.26 39.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.523 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 32.1 t-105 -94.52 14.35 21.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 107.998 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.617 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 15.2 t80 -122.31 -1.77 9.13 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.853 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 2.9 ttmm -106.85 -42.41 4.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 30.2 m -64.9 -9.37 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.5 t -102.03 -52.49 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -94.46 25.12 4.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.589 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.558 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 N--CA 1.447 -1.217 0 N-CA-C 109.532 -0.988 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.2 p -137.46 -166.42 1.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.9 m -77.5 -3.79 42.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 108.295 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 88' ' ' LYS . 6.7 mm -111.71 -43.85 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.49 -60.7 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 10.9 t -61.33 -56.8 16.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 108.275 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.427 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 10.0 m170 -47.34 -36.95 10.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.628 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 84' ' ' ILE . 6.4 mttm -61.7 -47.27 86.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -57.53 -39.21 76.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -62.68 -40.08 95.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.526 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -75.7 -20.07 58.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -86.31 22.62 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.71 48.31 1.92 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -167.38 -45.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.427 ' HB3' ' ND1' ' A' ' 87' ' ' HIS . 13.7 mt -91.21 -32.57 15.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.6 p -122.31 14.2 10.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.28 119.39 7.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.147 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -61.26 -53.15 60.49 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.35 137.83 54.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.13 41.06 40.58 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 95.7 p -113.37 175.51 5.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.988 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.29 -6.69 41.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 95.8 m -102.12 -46.84 4.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 108.327 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -117.47 83.54 17.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.597 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -91.42 71.87 0.91 Allowed 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.308 3.339 . . . . 0.0 109.625 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.0 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.413 ' OD2' ' N ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -55.69 -167.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.413 ' N ' ' OD2' ' A' ' 6' ' ' ASP . . . 69.58 32.1 71.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.87 135.2 33.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 109.256 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -113.62 133.56 55.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 mt -111.94 124.42 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -158.78 92.38 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.174 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -115.22 -27.68 7.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 76.5 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.8 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -120.71 117.6 27.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.409 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.8 t -99.76 136.51 30.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.9 t -100.18 135.05 37.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -127.12 145.98 50.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -128.75 125.48 37.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -74.72 -20.12 59.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.583 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.1 p -88.09 16.03 6.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 110.036 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.6 m -110.66 -35.12 6.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.414 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -103.55 23.84 12.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.586 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.2 -19.82 15.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -84.66 -2.57 57.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.524 ' CG1' ' CG ' ' A' ' 36' ' ' ASP . 7.6 t -114.41 130.8 68.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.61 159.39 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.4 m -72.83 -41.56 64.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 108.28 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -66.34 -9.72 35.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.524 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 3.5 t70 -65.09 -18.45 65.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 96.2 m -130.25 -49.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 108.327 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -76.45 74.78 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.599 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.2 p80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.586 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 N--CA 1.449 -0.477 0 CA-C-O 118.84 -0.6 . . . . 0.0 109.785 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.56 -176.88 5.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.426 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -76.96 145.54 31.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 25.6 m -80.13 -35.15 37.12 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 19.5 p -89.41 21.67 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 25.8 m -66.73 156.37 35.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.402 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.87 152.82 6.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.53 20.59 31.4 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 51' ' ' THR . 17.1 m -134.14 -137.02 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.427 ' O ' ' HA ' ' A' ' 50' ' ' THR . 51.8 m-70 -86.47 44.88 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.601 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -83.91 68.71 10.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.7 mm -133.76 109.26 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.2 mttt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.07 158.41 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.2 p -83.59 7.58 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -101.42 8.41 42.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 p -74.97 136.68 41.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.552 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 30.0 t-105 -97.37 17.41 17.51 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.653 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 7.9 t80 -122.81 -7.18 8.49 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.808 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.568 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 5.3 ttmt -101.71 -42.86 6.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.5 m -64.17 -7.92 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.9 t -104.99 -53.31 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -94.56 25.96 3.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.596 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.568 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo . . . . . 0 N--CA 1.447 -1.222 0 N-CA-C 109.601 -0.961 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.9 p -138.0 -165.69 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 110.376 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.8 m -77.07 -3.38 38.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 108.255 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 88' ' ' LYS . 8.5 mm -112.07 -44.54 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.32 -61.26 2.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 6.6 t -60.4 -57.74 11.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 108.307 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.446 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 10.6 m170 -47.02 -37.56 9.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.599 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 84' ' ' ILE . 12.1 mttt -60.98 -47.37 86.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -55.98 -40.86 73.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.4 mmtm -62.71 -41.95 99.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.538 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -76.96 -20.99 55.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -85.82 24.49 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -143.52 48.06 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -167.5 -46.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.331 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.446 ' HB3' ' ND1' ' A' ' 87' ' ' HIS . 10.8 mt -91.2 -32.17 15.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.8 p -121.29 6.91 10.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.443 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -63.48 115.54 8.11 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -57.78 -54.97 40.91 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -123.71 138.54 54.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.22 42.2 29.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.4 p -117.66 -179.68 3.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.52 -4.61 37.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 93.5 m -104.07 -46.99 4.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 108.278 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -118.41 83.59 21.36 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.593 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -92.73 73.23 0.48 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.28 3.32 . . . . 0.0 109.567 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' ALA . 1.2 p-10 -55.49 -167.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.89 34.73 65.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.62 135.54 33.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -115.25 136.38 53.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.1 mt -115.34 124.65 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -160.48 92.49 0.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -116.38 -27.6 6.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 71.3 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.3 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -97.82 111.61 23.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 110.428 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.0 t -96.9 131.03 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 64.8 t -93.98 141.19 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.405 ' C ' ' ND2' ' A' ' 25' ' ' ASN . 51.0 t80 -131.92 159.57 38.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.405 ' ND2' ' C ' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -142.88 125.8 16.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -75.47 -16.34 60.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.6 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.5 p -90.37 15.42 10.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.2 m -112.49 -28.77 7.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.425 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -111.15 22.47 15.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 109.545 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -56.66 -19.05 14.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.29 -2.57 58.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.486 ' CG1' ' CG ' ' A' ' 36' ' ' ASP . 13.0 t -112.84 131.38 64.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -52.81 157.74 1.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.7 m -72.59 -40.85 66.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 108.278 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.6 p30 -67.71 -8.82 38.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.486 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 3.9 t70 -65.27 -18.61 65.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.6 m -130.78 -48.13 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 108.28 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -77.84 79.52 4.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.599 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.427 ' O ' ' CG ' ' A' ' 39' ' ' HIS . 4.2 p80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.584 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 N--CA 1.449 -0.498 0 CA-C-O 118.849 -0.596 . . . . 0.0 109.824 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.1 -176.86 4.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.422 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -75.37 143.46 30.57 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.5 m -80.95 -34.64 33.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 72.2 p -88.91 19.1 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 19.9 m -65.31 156.05 33.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.402 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 4.6 t70 -55.77 153.24 8.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.68 15.68 19.79 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.549 1.156 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 13.6 m -128.84 -135.93 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.404 ' O ' ' HA ' ' A' ' 50' ' ' THR . 44.4 m-70 -88.46 44.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.599 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -84.39 65.84 9.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.8 mm -133.56 108.64 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 47.5 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.1 t -175.18 153.77 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.4 p -79.22 1.26 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -96.02 13.05 28.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.24 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.2 p -78.66 133.5 37.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.511 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 33.2 t-105 -93.21 13.03 22.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 108.005 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.644 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 9.7 t80 -119.06 -7.38 10.37 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.821 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 9.8 tttm -99.77 -44.97 5.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.0 m -64.79 -9.46 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 74.3 t -101.14 -47.85 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -103.6 32.87 3.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.581 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo . . . . . 0 N--CA 1.447 -1.23 0 N-CA-C 109.58 -0.969 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.2 p -123.43 -162.12 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.405 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.2 m -78.82 0.42 27.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 108.293 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 88' ' ' LYS . 7.7 mm -112.94 -46.57 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 t -52.58 -59.25 4.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.028 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.8 t -62.0 -59.78 4.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 108.317 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.422 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 11.3 m170 -46.75 -31.41 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.632 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 84' ' ' ILE . 0.7 OUTLIER -69.94 -50.75 38.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.17 -38.34 70.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -58.54 -41.88 86.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.535 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -96.22 -20.0 18.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -85.98 23.27 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -138.24 48.21 1.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -165.22 -47.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.422 ' HB3' ' ND1' ' A' ' 87' ' ' HIS . 14.0 mt -87.52 -29.38 21.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 32.8 p -119.52 -2.52 10.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -50.97 122.8 14.93 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.2 m -69.59 -51.15 37.83 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.4 130.89 53.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.61 44.3 16.39 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.3 p -113.93 177.32 4.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 109.979 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.78 -7.01 41.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 91.5 m -103.16 -46.39 4.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 108.297 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -117.08 83.95 15.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.567 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -91.29 72.78 0.87 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.323 3.349 . . . . 0.0 109.57 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -165.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.02 45.82 92.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.99 138.72 36.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -112.71 137.04 51.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.1 mt -114.85 125.75 72.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -161.33 96.19 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -117.61 -29.93 5.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.4 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.4 m -119.2 112.82 19.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.391 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.2 t -92.79 138.79 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.2 t -103.2 139.32 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -123.82 175.9 6.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.133 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -160.75 121.73 2.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -74.97 -19.49 60.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.583 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.9 p -87.78 15.74 6.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.033 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.4 m -112.87 -33.74 5.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.376 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -106.88 24.99 11.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.596 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -19.52 17.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -87.06 -1.28 57.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.453 HG11 ' CB ' ' A' ' 36' ' ' ASP . 18.5 t -111.61 128.86 67.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -51.32 156.39 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.8 m -71.99 -38.99 69.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 108.346 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -70.45 -6.93 39.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.453 ' CB ' HG11 ' A' ' 32' ' ' VAL . 2.1 t70 -67.22 -18.42 65.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 99.9 m -130.32 -47.53 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 108.308 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -78.45 81.34 4.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.594 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.486 ' O ' ' CG ' ' A' ' 39' ' ' HIS . 2.7 p80 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.623 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 . . . . . 0 N--CA 1.45 -0.458 0 CA-C-O 118.893 -0.575 . . . . 0.0 109.838 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.77 -177.02 4.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.421 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -74.63 145.54 34.27 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.0 m -81.37 -32.63 32.79 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.8 p -89.04 19.93 3.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.412 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 19.7 m -67.5 156.15 37.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.404 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 19.0 p-10 -56.83 153.66 10.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.09 18.05 25.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 16.4 m -130.4 -131.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -93.74 47.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.575 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -85.85 64.55 8.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.2 mm -131.5 108.92 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 54.9 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.73 164.4 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.938 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.422 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 5.3 p -89.79 24.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -120.09 9.88 11.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 p -76.06 134.67 40.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.499 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 39.5 t-105 -93.66 13.45 22.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 108.05 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.632 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 6.0 t80 -118.73 -11.14 9.86 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.843 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 5.8 ttmm -98.0 -44.87 6.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 26.9 m -64.62 -8.75 5.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 71.9 t -103.66 -46.13 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -103.58 31.65 4.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.579 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo . . . . . 0 N--CA 1.447 -1.221 0 N-CA-C 109.563 -0.976 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.6 p -129.58 -164.47 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.369 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.9 m -78.15 -4.25 46.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 108.281 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 88' ' ' LYS . 6.6 mm -110.32 -44.17 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.41 -60.35 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.963 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.4 t -60.67 -58.79 6.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.322 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -46.54 -37.95 8.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.589 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 84' ' ' ILE . 14.2 mtpt -60.38 -48.34 82.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -56.42 -40.62 75.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -61.76 -40.62 95.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.52 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -75.7 -20.8 58.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -86.01 22.69 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.46 46.41 1.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -166.33 -45.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.0 mt -91.89 -32.26 15.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.9 p -120.06 2.94 10.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.406 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.7 117.29 9.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.2 m -60.95 -52.39 65.23 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.62 133.81 53.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.36 45.35 11.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.4 p -119.13 -179.51 3.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 110.023 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.24 -4.0 33.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 87.0 m -105.88 -46.54 4.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 108.286 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -117.32 83.64 16.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.609 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -91.62 72.53 0.8 Allowed 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.287 3.324 . . . . 0.0 109.568 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 98.4 p . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.907 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -164.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.17 35.08 70.21 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.7 97.3 9.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 0.747 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -70.79 142.16 51.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.4 mt -123.36 121.65 63.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -160.95 91.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -115.35 -25.85 7.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.4 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.6 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.89 112.35 25.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.432 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.0 t -98.26 141.67 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.2 t -105.29 140.68 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.442 ' CE1' ' CE1' ' A' ' 29' ' ' HIS . 45.2 t80 -133.75 150.29 51.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 48.7 t-20 -135.53 142.43 45.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.454 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 14.9 m80 -87.11 -21.06 26.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.607 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.22 6.28 17.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.5 m -102.09 -39.5 7.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.442 ' CE1' ' CE1' ' A' ' 24' ' ' PHE . 46.8 m80 -102.73 23.65 11.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.609 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -56.68 -18.69 13.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.23 -0.44 57.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.486 ' CG1' ' CG ' ' A' ' 36' ' ' ASP . 17.4 t -112.65 130.8 65.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -51.61 160.97 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.6 m -75.56 -40.39 56.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 108.332 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.0 p30 -68.4 -8.19 38.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.486 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 4.6 t70 -66.21 -18.03 65.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 86.4 m -131.66 -48.84 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 108.321 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -77.58 68.0 3.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.574 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.554 ' O ' ' CG ' ' A' ' 39' ' ' HIS . 5.8 p80 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.574 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 . . . . . 0 N--CA 1.45 -0.473 0 CA-C-O 118.866 -0.588 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.37 175.73 9.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.402 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -66.91 139.77 37.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.464 1.103 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.2 m -75.36 -29.57 59.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 50.4 p -91.59 23.12 3.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 89.5 m -71.97 154.98 40.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -54.67 153.29 6.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.352 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.45 25.43 49.4 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.464 1.103 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.1 m -138.92 -131.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.255 -1.016 . . . . 0.0 108.255 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -94.19 49.95 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.595 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -88.3 63.08 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.2 mm -132.31 115.33 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.5 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.0 tttt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.9 p -175.51 162.3 2.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.1 p -85.13 9.48 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -104.33 14.32 30.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.6 p -78.0 133.25 38.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.527 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 30.8 t-105 -94.4 14.38 20.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 107.999 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.626 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 15.2 t80 -124.14 -1.27 8.25 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.802 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.449 ' O ' ' HB2' ' A' ' 74' ' ' ASP . 2.7 ttmm -107.69 -37.06 6.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 28.0 m -73.79 -2.28 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.7 t -105.4 -54.62 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -92.94 24.24 3.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.591 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.59 1.181 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo . . . . . 0 N--CA 1.447 -1.21 0 N-CA-C 109.581 -0.969 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 34.2 p -140.44 -166.58 2.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.403 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.7 m -76.74 -3.86 40.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 108.293 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.464 ' CG2' ' HD2' ' A' ' 88' ' ' LYS . 8.7 mm -112.26 -43.9 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.84 -62.13 1.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.969 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.4 t -59.75 -57.66 11.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 108.31 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.411 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 8.0 m170 -46.83 -38.94 11.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.6 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.464 ' HD2' ' CG2' ' A' ' 84' ' ' ILE . 3.9 mtpp -60.01 -48.18 82.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 1.067 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -56.53 -39.76 73.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.347 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -63.73 -43.82 95.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.536 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -78.74 -15.77 58.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -86.31 24.07 1.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -143.92 47.42 1.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -168.02 -45.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.47 ' CD1' HD13 ' A' ' 97' ' ' LEU . 13.1 mt -91.6 -31.91 15.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.4 p -122.35 5.2 9.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.383 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.72 116.27 9.11 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.72 -50.15 74.96 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -123.22 135.53 54.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.15 43.04 27.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.969 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 55.2 p -114.52 175.03 5.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.04 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.94 -7.23 44.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.36 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 99.9 m -101.86 -46.94 4.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 108.288 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -117.64 83.52 17.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.616 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -91.76 71.71 0.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.294 3.33 . . . . 0.0 109.606 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.956 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 5' ' ' ALA . 1.7 p-10 -53.85 -172.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.87 44.47 30.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.65 96.87 7.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.477 ' HD3' ' CG2' ' A' ' 21' ' ' THR . 0.0 OUTLIER -71.25 145.97 49.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 24' ' ' PHE . 13.0 mt -125.89 125.96 69.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -165.11 91.85 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -114.93 -27.77 7.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.1 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.8 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.477 ' CG2' ' HD3' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -119.2 113.63 21.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.399 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.6 t -100.89 132.01 47.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.7 t -96.12 133.46 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.456 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 43.5 t80 -128.99 151.81 49.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 23.5 t30 -140.32 145.29 37.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.45 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 16.7 m80 -86.32 -27.5 24.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.589 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.403 ' OG ' ' OD1' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -74.03 -1.77 21.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.008 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 84.7 m -92.65 -41.21 10.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -102.54 24.33 10.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.608 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -18.74 12.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.92 3.12 55.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.459 HG11 ' CB ' ' A' ' 36' ' ' ASP . 42.6 t -114.3 132.76 62.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -53.04 158.98 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.6 m -74.75 -42.0 59.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 108.287 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.8 p30 -67.32 -9.01 36.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.459 ' CB ' HG11 ' A' ' 32' ' ' VAL . 4.5 t0 -65.04 -18.56 65.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 91.7 m -130.71 -49.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 108.302 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -76.24 77.41 3.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.579 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.541 ' O ' ' CG ' ' A' ' 39' ' ' HIS . 2.8 p80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.546 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 N--CA 1.449 -0.495 0 CA-C-O 118.896 -0.573 . . . . 0.0 109.829 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.78 -178.89 6.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.427 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -70.59 141.22 33.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.3 m -77.87 -30.73 50.99 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.6 p -93.02 20.62 6.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.37 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 31.9 m -66.95 156.71 35.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.4 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 1.1 m-20 -55.4 153.56 7.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.98 15.86 22.73 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.591 1.182 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 12.1 m -129.44 -136.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -89.57 46.41 1.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.546 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -81.89 65.66 7.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.3 mm -132.5 108.05 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.2 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.5 tttt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.9 p -176.38 163.63 2.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.947 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.7 p -88.46 38.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -130.54 9.14 5.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 p -76.21 134.86 39.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.013 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.533 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 35.8 t-105 -95.29 17.15 14.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 107.997 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.615 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 17.9 t80 -123.08 -3.87 8.53 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.781 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 4.6 ttmt -108.83 -41.8 4.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 29.6 m -64.2 -9.5 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.8 t -100.81 -50.25 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -96.72 26.58 4.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.57 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 1.2 m-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo . . . . . 0 N--CA 1.447 -1.242 0 N-CA-C 109.612 -0.957 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.3 p -126.38 -166.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.394 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.4 m -79.89 -2.42 43.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 108.262 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 88' ' ' LYS . 3.9 mm -112.45 -43.08 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.96 -60.87 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 8.7 t -61.85 -57.54 11.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.331 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.446 ' CG ' ' HB3' ' A' ' 101' ' ' LEU . 9.7 m170 -46.47 -34.39 4.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.598 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 84' ' ' ILE . 2.9 mmtp -66.23 -48.66 69.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -56.13 -40.7 74.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.3 mmtm -60.09 -39.1 84.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.242 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.8 OUTLIER -73.89 -21.41 60.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -85.69 21.81 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -135.92 44.98 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -162.45 -48.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.446 ' HB3' ' CG ' ' A' ' 87' ' ' HIS . 13.6 mt -86.78 -32.14 20.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 36.6 p -118.53 7.81 11.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -63.6 116.57 9.42 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.27 -57.79 11.28 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -121.21 138.71 54.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.08 42.04 37.84 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.2 p -116.87 179.21 4.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.783 . . . . 0.0 110.03 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.43 -10.82 60.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 98.7 m -97.07 -47.83 5.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 108.342 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -118.47 84.04 22.74 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.606 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -92.71 70.81 0.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.283 3.322 . . . . 0.0 109.606 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.53 -179.17 5.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.58 39.7 78.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.147 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.57 112.61 21.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -71.1 144.84 50.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.441 ' CD1' ' HB2' ' A' ' 24' ' ' PHE . 11.2 mt -126.27 123.77 64.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -158.97 91.52 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -116.11 -26.3 7.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.8 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.5 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.37 120.8 34.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.0 t -101.34 149.73 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.416 HG11 ' N ' ' A' ' 24' ' ' PHE . 45.7 t -111.96 144.0 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.441 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 37.1 t80 -134.31 146.76 50.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.426 ' OD1' ' CB ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -137.3 124.26 21.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -73.31 -18.97 61.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.581 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.8 p -85.52 10.5 12.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.961 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.426 ' CB ' ' OD1' ' A' ' 25' ' ' ASN . 19.3 m -106.08 -40.1 5.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.383 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -101.98 23.35 11.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.639 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -56.6 -19.48 16.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -89.0 -0.47 57.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.476 HG13 ' CB ' ' A' ' 36' ' ' ASP . 45.1 t -111.11 131.8 61.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.304 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -51.82 157.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.1 m -73.92 -41.58 61.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 108.29 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.8 p30 -66.88 -9.51 38.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.476 ' CB ' HG13 ' A' ' 32' ' ' VAL . 4.5 t70 -64.87 -18.54 65.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 81.1 m -131.23 -48.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 108.277 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -78.0 87.65 4.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.609 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.457 ' O ' ' CG ' ' A' ' 39' ' ' HIS . 3.4 p80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.601 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 N--CA 1.449 -0.509 0 CA-C-O 118.899 -0.572 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -127.14 -175.94 3.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.424 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -72.5 143.11 33.56 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.6 m -79.03 -35.02 43.37 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 18.2 p -89.37 20.0 4.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 27.7 m -65.78 156.79 32.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.076 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.402 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 35.6 t0 -55.31 153.59 6.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.61 15.82 19.83 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 51' ' ' THR . 13.2 m -129.6 -136.62 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.407 ' O ' ' HA ' ' A' ' 50' ' ' THR . 41.1 m-70 -88.4 44.19 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.614 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -81.97 67.09 7.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.7 mm -133.28 108.59 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.2 mt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 72.4 tttt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.3 p -175.98 161.57 2.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 5.4 p -88.41 38.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -134.23 10.41 3.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 p -77.98 134.1 37.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.514 ' O ' ' CG ' ' A' ' 68' ' ' TRP . 35.6 t-105 -93.11 14.09 18.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 108.022 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.63 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 8.1 t80 -120.79 -10.48 9.14 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.844 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.548 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 18.2 ttpp -98.98 -44.77 6.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.6 m -63.8 -7.88 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.5 t -104.59 -45.86 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -102.39 29.74 5.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.584 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo . . . . . 0 N--CA 1.448 -1.197 0 N-CA-C 109.631 -0.95 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.463 HG22 ' CB ' ' A' ' 74' ' ' ASP . 30.3 p -137.4 -165.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.396 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.8 m -78.56 -4.31 48.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 108.287 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 88' ' ' LYS . 3.9 mm -111.77 -43.53 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.91 -62.33 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 17.2 t -60.04 -55.84 29.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 108.332 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.422 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 7.2 m170 -47.15 -38.47 11.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.579 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 84' ' ' ILE . 8.6 mttt -60.42 -46.06 91.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -56.81 -40.65 76.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -63.29 -41.09 98.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.523 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -88.09 -30.81 19.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.8 ttpp -79.3 8.02 6.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -120.33 44.58 2.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 107' ' ' SER . 6.5 ptmt -166.3 -46.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.422 ' HB3' ' ND1' ' A' ' 87' ' ' HIS . 15.4 mt -87.72 -29.77 20.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 28.6 p -122.04 4.59 9.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.36 127.54 45.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -71.7 -54.26 10.87 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -121.28 131.46 54.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.42 44.67 12.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 47.6 p -115.7 176.96 4.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 0.77 . . . . 0.0 110.037 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.27 -7.61 43.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 85.6 m -102.75 -46.22 4.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 108.31 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -117.41 83.54 16.73 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.589 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -91.67 73.61 0.71 Allowed 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.294 3.329 . . . . 0.0 109.598 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.99 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -56.64 -164.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.453 ' N ' ' OD2' ' A' ' 6' ' ' ASP . . . 80.97 -0.65 86.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 135.59 57.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.256 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -118.76 137.66 53.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mt -111.65 126.64 69.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -161.36 86.24 0.67 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -113.7 -26.9 8.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.7 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.963 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.2 mt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -89.97 111.69 22.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 75.0 t -96.84 125.16 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.3 t -88.49 146.64 5.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -138.87 147.82 42.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 49.5 t-20 -133.3 141.29 47.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.449 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 17.5 m80 -86.53 -20.45 27.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.601 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.79 6.93 16.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 92.0 m -103.23 -40.38 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 110.396 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -100.86 23.81 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.636 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -19.23 13.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.31 2.06 53.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.503 ' CG1' ' CG ' ' A' ' 36' ' ' ASP . 20.0 t -115.73 131.88 66.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -53.49 163.39 0.64 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.8 m -76.46 -42.94 41.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 108.269 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.5 p30 -65.87 -9.28 27.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.503 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 4.3 t0 -65.54 -17.6 64.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 93.9 m -132.02 -49.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.3 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -76.99 76.75 3.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.622 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.472 ' O ' ' CG ' ' A' ' 39' ' ' HIS . 3.4 p80 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.656 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 . . . . . 0 N--CA 1.449 -0.522 0 CA-C-O 118.897 -0.573 . . . . 0.0 109.801 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.33 -176.46 3.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.406 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -76.95 140.11 24.41 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.6 m -74.78 -31.19 61.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.7 p -90.24 22.93 3.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 91.6 m -72.6 156.09 39.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.413 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.401 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 15.9 t0 -55.92 154.67 7.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.51 23.5 35.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.567 1.167 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 18.3 m -136.64 -130.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -95.34 50.05 1.23 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 109.568 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -87.39 65.05 8.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.17 . . . . 0.0 109.337 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.7 mm -131.21 109.72 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.8 mt . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 m -63.58 160.91 15.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.011 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.417 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 5.0 p -85.97 41.66 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.236 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -126.4 12.67 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.405 ' OG ' ' CB ' ' A' ' 70' ' ' LYS . 94.7 p -75.21 133.09 41.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.517 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 39.9 t-105 -96.74 16.27 19.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 108.022 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 11.7 t80 -123.92 -4.08 8.09 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.848 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.571 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 9.6 ttpp -107.83 -42.56 4.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 34.8 m -64.27 -8.36 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.0 t -102.35 -43.37 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -106.22 34.45 3.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.596 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.571 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 N--CA 1.447 -1.233 0 N-CA-C 109.608 -0.959 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 46.9 p -123.46 -165.61 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.424 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.7 m -82.85 1.9 36.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 108.298 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 88' ' ' LYS . 9.6 mm -114.7 -43.48 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 m -53.52 -61.4 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.8 t -61.69 -58.55 7.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 108.281 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.42 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 7.2 m170 -45.56 -39.24 7.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.62 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 84' ' ' ILE . 9.6 mmtp -59.6 -49.58 77.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -54.39 -40.34 68.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.381 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -63.51 -44.6 93.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.521 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -79.61 -21.78 44.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -85.96 22.03 1.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -142.27 46.83 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 107' ' ' SER . 7.4 ptmt -167.86 -44.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.355 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.465 ' CD1' HD13 ' A' ' 97' ' ' LEU . 12.7 mt -92.02 -33.42 14.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.6 p -121.35 7.81 10.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -62.62 113.21 5.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -56.25 -53.05 61.86 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -124.6 135.71 53.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.122 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.41 46.22 12.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 54.2 p -120.46 -179.32 3.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.16 -4.05 33.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 92.5 m -105.2 -48.49 3.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 108.302 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -117.75 82.84 17.02 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.629 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -92.32 69.49 0.75 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.26 3.307 . . . . 0.0 109.575 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.984 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' ALA . 2.7 p-10 -53.63 -172.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.12 39.53 62.76 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.51 112.93 24.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -90.79 133.35 35.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.2 mt -114.12 115.69 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -151.34 93.31 1.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -115.17 -26.73 7.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.9 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.0 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -109.94 111.59 23.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.376 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.6 t -91.46 141.63 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.3 t -106.78 135.11 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.363 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -127.21 148.2 50.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -135.34 125.68 26.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -74.32 -9.65 58.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.624 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 p -93.3 15.3 15.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.959 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.8 m -113.71 -37.71 4.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.381 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -101.98 23.17 11.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.636 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -19.6 15.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -87.14 0.08 55.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.491 HG11 ' CB ' ' A' ' 36' ' ' ASP . 34.6 t -113.73 130.38 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -52.09 158.94 0.99 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.1 m -74.42 -41.76 60.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 108.304 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -67.47 -8.96 37.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.491 ' CB ' HG11 ' A' ' 32' ' ' VAL . 4.3 t70 -65.43 -18.15 65.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 95.2 m -130.77 -48.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 108.269 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -77.37 86.28 3.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.597 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.549 ' O ' ' CG ' ' A' ' 39' ' ' HIS . 5.3 p80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.627 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 . . . . . 0 N--CA 1.45 -0.462 0 CA-C-O 118.89 -0.576 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -122.52 -178.45 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.411 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -77.29 139.68 23.56 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.6 m -74.66 -31.78 62.04 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.6 p -90.26 22.22 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 87.7 m -71.44 155.43 40.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.412 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -55.0 152.09 8.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.78 25.94 52.96 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.5 m -138.58 -132.76 0.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -92.97 49.69 1.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.564 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -90.69 67.0 6.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.3 mm -133.02 108.44 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 63.7 mt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 tttp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.5 155.12 1.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.996 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 p -80.76 3.79 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.107 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -97.37 9.57 41.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 p -75.68 134.08 40.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.538 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 29.0 t-105 -96.42 14.88 22.96 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.642 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 13.4 t80 -119.84 -7.32 10.01 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.828 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.571 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 11.4 ttmm -101.16 -43.74 5.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 26.4 m -64.75 -9.09 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.3 t -100.83 -57.25 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -91.62 24.4 3.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.558 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.571 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.4 ' O ' HG21 ' A' ' 82' ' ' THR . 55.4 Cg_endo . . . . . 0 N--CA 1.448 -1.202 0 N-CA-C 109.607 -0.959 . . . . 0.0 109.607 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.4 HG21 ' O ' ' A' ' 81' ' ' PRO . 25.4 p -138.77 -165.0 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.41 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m -77.5 -5.68 50.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 108.346 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 88' ' ' LYS . 9.4 mm -110.14 -44.01 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.69 -60.57 3.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.969 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.4 t -60.23 -58.0 10.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.272 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -47.1 -38.14 10.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.585 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -61.32 -47.88 83.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -55.49 -40.16 71.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -62.99 -41.22 99.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -76.23 -19.98 57.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -86.37 23.8 1.51 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -142.92 47.76 1.52 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 107' ' ' SER . 7.1 ptmt -167.91 -45.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.465 ' CD1' HD13 ' A' ' 97' ' ' LEU . 19.3 mt -90.52 -30.7 17.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.8 p -122.35 0.87 9.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.368 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.56 119.72 17.76 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.3 m -62.52 -49.67 74.42 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.95 137.36 54.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.25 40.43 49.49 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 35.4 p -110.92 176.19 5.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.4 -5.12 37.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 93.5 m -103.88 -46.17 4.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 108.303 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -117.44 83.76 17.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.591 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -90.99 72.16 1.01 Allowed 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.276 3.317 . . . . 0.0 109.614 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 110.016 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -52.48 -175.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.29 0.78 87.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.16 138.19 58.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -121.13 136.63 54.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.7 mt -111.19 131.16 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -165.07 92.78 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -115.54 -27.34 7.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.8 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.328 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -108.81 112.15 24.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.455 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.1 t -93.93 130.9 42.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.3 t -94.63 130.59 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.47 ' CE1' ' CE1' ' A' ' 29' ' ' HIS . 35.6 t80 -126.0 143.5 51.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -127.71 126.97 42.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -74.34 -19.25 60.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.576 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.0 p -86.95 14.12 7.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 92.7 m -110.06 -33.72 6.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.47 ' CE1' ' CE1' ' A' ' 24' ' ' PHE . 56.6 m80 -105.35 22.21 15.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.572 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -19.04 14.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.3 -2.01 57.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.505 ' CG1' ' CG ' ' A' ' 36' ' ' ASP . 12.0 t -114.02 134.94 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -55.52 161.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.9 m -75.41 -41.66 55.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 108.256 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -67.05 -8.64 31.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.505 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 2.2 t70 -64.72 -18.94 65.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 72.3 m -131.39 -49.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 108.309 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -73.4 70.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.598 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.554 ' O ' ' CG ' ' A' ' 39' ' ' HIS . 1.9 p80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.591 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 N--CA 1.449 -0.516 0 CA-C-O 118.913 -0.565 . . . . 0.0 109.855 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.15 -176.22 2.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.433 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -73.63 149.49 41.81 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.3 m -79.78 -30.44 40.65 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.3 p -89.81 21.45 3.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.368 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 27.9 m -70.04 156.35 39.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.341 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.404 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 8.7 m-20 -56.62 154.4 8.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.22 19.98 26.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 17.4 m -132.74 -131.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -94.58 48.44 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.616 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -85.16 65.94 9.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.0 mm -133.06 119.04 35.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.8 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.916 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.92 161.44 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.989 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.0 p -85.57 11.87 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -106.85 9.21 30.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.1 p -75.48 135.48 40.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.524 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 33.2 t-105 -95.58 14.3 23.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 108.012 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.645 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 5.2 t80 -119.88 -9.91 9.6 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.857 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.589 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 16.1 ttpp -98.44 -45.06 6.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 29.3 m -63.03 -8.89 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 83.9 t -105.31 -42.12 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -107.14 34.32 3.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.629 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.589 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo . . . . . 0 N--CA 1.447 -1.237 0 N-CA-C 109.553 -0.98 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.8 p -138.83 -166.54 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.444 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.5 m -77.72 -4.77 47.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 108.304 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 88' ' ' LYS . 3.2 mm -111.53 -43.66 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.82 -62.43 1.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.975 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 17.7 t -60.21 -56.33 22.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 108.315 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.417 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 8.8 m170 -46.49 -38.5 9.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.592 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 84' ' ' ILE . 10.8 mtpt -60.06 -46.27 90.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -56.85 -40.89 76.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -62.02 -40.07 94.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -72.89 -21.34 60.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -85.3 16.55 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.08 44.35 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.402 ' HD2' ' CD2' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -163.33 -47.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.417 ' HB3' ' ND1' ' A' ' 87' ' ' HIS . 11.0 mt -88.24 -31.02 19.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.9 p -121.75 8.66 10.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.437 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.57 129.07 33.31 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.96 -57.3 5.18 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -120.39 139.21 53.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.26 39.22 52.67 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 59.9 p -112.64 179.87 3.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 0.795 . . . . 0.0 110.061 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.44 -2.76 30.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 86.5 m -105.66 -47.99 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 108.303 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -118.09 82.74 18.24 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -92.35 70.27 0.71 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.306 3.337 . . . . 0.0 109.638 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 5' ' ' ALA . 0.8 OUTLIER -55.42 -167.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.74 33.81 71.63 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.441 1.088 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.13 137.12 32.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -117.63 135.5 53.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.1 mt -113.36 124.72 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -156.65 90.1 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -115.41 -25.15 8.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 71.9 mt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.5 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -89.65 111.64 22.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.358 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.0 t -91.9 137.71 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.8 t -103.35 134.43 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.075 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.458 ' CE1' ' CE1' ' A' ' 29' ' ' HIS . 28.9 t80 -124.07 169.2 11.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.046 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -151.81 125.4 8.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -76.78 -17.26 59.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.592 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.2 p -88.26 15.81 7.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.3 m -114.27 -32.13 6.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.401 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.458 ' CE1' ' CE1' ' A' ' 24' ' ' PHE . 51.3 m80 -107.01 22.34 16.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.607 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.55 -18.69 12.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.75 -2.63 58.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.477 ' CG1' ' CG ' ' A' ' 36' ' ' ASP . 21.6 t -112.47 129.18 68.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -51.11 159.83 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.7 m -74.32 -40.8 61.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 108.356 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -68.46 -8.17 38.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.477 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 4.6 t70 -66.1 -18.09 65.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 87.2 m -131.5 -48.88 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 108.333 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -76.6 79.24 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.618 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.445 ' O ' ' CG ' ' A' ' 39' ' ' HIS . 4.3 p80 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.582 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 . . . . . 0 N--CA 1.45 -0.46 0 CA-C-O 118.899 -0.572 . . . . 0.0 109.818 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -120.44 -177.06 3.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.431 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -74.91 143.97 31.76 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.2 m -78.88 -32.03 45.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.2 p -90.79 20.21 4.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 26.9 m -67.38 155.83 37.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.4 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.6 OUTLIER -55.75 154.43 6.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.44 16.13 19.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.1 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 51' ' ' THR . 13.7 m -130.07 -134.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -90.97 45.52 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.579 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -85.98 67.8 10.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.4 mm -132.74 109.26 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.947 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.1 mttm . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.0 p -176.31 164.95 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 4.5 p -88.53 39.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -132.71 9.13 4.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.74 134.39 38.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.03 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.532 ' O ' ' CG ' ' A' ' 68' ' ' TRP . 33.2 t-105 -93.52 15.78 15.2 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.612 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 14.5 t80 -122.23 -2.99 9.01 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.822 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 5.4 ttmt -107.39 -42.77 4.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.3 m -64.43 -8.25 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.6 t -102.17 -53.75 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -94.24 25.32 3.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 109.598 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo . . . . . 0 N--CA 1.447 -1.211 0 N-CA-C 109.59 -0.965 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.1 p -137.51 -165.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.386 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.3 m -77.69 -6.62 54.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 0.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.42 ' O ' ' HB2' ' A' ' 88' ' ' LYS . 2.8 mm -109.99 -45.03 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.37 -61.8 2.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.04 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.9 t -58.58 -55.63 32.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 108.319 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.434 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 10.0 m170 -47.31 -33.91 6.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.59 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.473 ' HE3' ' CB ' ' A' ' 102' ' ' THR . 0.0 OUTLIER -61.85 -46.37 89.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -55.53 -41.11 72.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -64.35 -40.06 95.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.54 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -68.98 -16.45 63.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -86.19 24.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -142.08 47.4 1.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.349 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -167.38 -47.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 97' ' ' LEU . 15.3 mt -88.76 -32.59 17.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.473 ' CB ' ' HE3' ' A' ' 88' ' ' LYS . 23.9 p -121.61 13.59 10.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.436 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -70.56 130.93 21.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.1 -52.48 12.48 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.74 ' HD2' ' OXT' ' A' ' 112' ' ' SER . 1.4 tppp? -118.71 130.71 55.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.03 44.16 19.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 66.2 p -112.29 172.97 6.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.774 . . . . 0.0 110.011 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.76 -7.38 39.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 84.7 m -102.95 -45.81 4.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 108.315 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -117.01 83.88 15.46 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.567 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -91.43 71.55 0.93 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.321 3.347 . . . . 0.0 109.581 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.74 ' OXT' ' HD2' ' A' ' 105' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.956 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.78 -164.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.66 27.83 73.56 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.54 138.54 36.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 0.798 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HD3' ' CG2' ' A' ' 23' ' ' VAL . 12.4 mmtm -114.85 133.74 55.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.5 mt -115.46 125.69 72.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -160.94 90.51 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -115.16 -26.1 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.3 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.247 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.8 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.88 113.88 20.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.2 t -98.86 146.28 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.454 ' CG2' ' HD3' ' A' ' 9' ' ' LYS . 84.5 t -107.9 148.82 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -142.95 132.17 23.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -114.13 124.24 51.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -73.89 -17.14 61.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.576 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.4 p -88.9 13.97 11.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.8 m -111.09 -35.87 5.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.375 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -101.96 23.75 11.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.641 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -56.2 -21.7 24.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.96 -1.54 56.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.8 t -112.27 126.12 69.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -50.26 158.02 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.9 m -73.08 -41.13 64.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 108.286 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -67.99 -8.71 39.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -65.93 -18.49 65.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 97.8 m -130.77 -48.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 108.344 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -77.37 81.23 3.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.58 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.512 ' O ' ' CG ' ' A' ' 39' ' ' HIS . 2.6 p80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.585 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 118.879 -0.581 . . . . 0.0 109.837 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.79 178.57 7.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.402 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -70.52 137.92 28.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.104 . . . . 0.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.8 m -74.98 -28.64 60.64 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.5 p -92.29 23.51 3.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.381 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 91.1 m -73.1 155.56 39.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.435 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -54.92 153.68 6.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.11 25.35 46.57 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.7 m -138.8 -132.38 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -94.02 50.86 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.585 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -90.17 64.45 6.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.4 ' CG1' ' O ' ' A' ' 66' ' ' ASN . 3.3 mm -133.13 109.47 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.9 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.53 161.58 2.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.97 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.4 p -83.91 8.19 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.4 ' O ' ' CG1' ' A' ' 57' ' ' ILE . 28.7 m120 -102.37 13.05 35.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.4 p -78.32 132.62 37.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.526 ' O ' ' CG ' ' A' ' 68' ' ' TRP . 32.8 t-105 -95.19 14.78 21.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 107.973 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.606 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 10.8 t80 -121.67 -2.73 9.33 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.78 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 19.0 ttpp -106.29 -42.39 5.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.0 m -66.35 -6.42 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.444 HG13 ' CE1' ' A' ' 73' ' ' HIS . 75.2 t -103.78 -44.89 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.444 ' CE1' HG13 ' A' ' 72' ' ' VAL . 28.1 m80 -107.93 35.21 3.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.615 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo . . . . . 0 N--CA 1.447 -1.208 0 N-CA-C 109.629 -0.95 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.6 p -91.05 -157.86 0.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.423 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 87' ' ' HIS . 3.9 m -75.37 -53.67 8.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 108.324 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.483 ' O ' ' CG ' ' A' ' 88' ' ' LYS . 0.8 OUTLIER -64.08 -38.25 81.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -53.49 -61.43 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.017 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 10.4 t -64.11 -59.27 4.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 108.315 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.453 ' HB2' ' O ' ' A' ' 83' ' ' CYS . 12.7 m170 -43.94 -38.42 3.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.572 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 84' ' ' ILE . 3.7 mmtm -59.24 -50.53 73.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -57.72 -39.94 78.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -59.67 -40.67 88.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.53 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.8 OUTLIER -73.83 -22.76 59.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -85.48 22.69 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -132.95 50.45 2.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 107' ' ' SER . 10.5 ptpt -173.04 -41.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.2 mt -92.23 -32.32 15.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.468 ' O ' ' C ' ' A' ' 103' ' ' GLY . 6.1 p -133.14 9.81 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.424 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 104' ' ' CYS . . . -31.46 -54.36 0.32 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.5 OUTLIER 89.7 -41.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -132.66 96.87 3.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 89.03 46.35 4.5 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 54.5 p -104.65 -170.58 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 110.001 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.06 2.11 25.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.339 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.415 ' O ' ' HD3' ' A' ' 111' ' ' PRO . 93.2 m -112.92 -49.66 2.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 108.274 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -116.93 84.45 16.04 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.578 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 43.4 Cg_endo -92.33 64.09 0.8 Allowed 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.376 3.384 . . . . 0.0 109.578 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.0 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 7' ' ' GLY . 1.7 t70 -55.81 168.31 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.443 ' N ' ' CG ' ' A' ' 6' ' ' ASP . . . 73.66 46.67 23.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.06 115.15 28.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 0.9 OUTLIER -89.29 136.84 32.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.9 mt -119.01 123.41 71.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -158.24 95.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -117.73 -27.95 6.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.0 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.343 179.954 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.3 mt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -121.95 111.84 17.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.389 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.81 138.09 20.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.1 t -102.85 126.66 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.57 ' CE1' ' CE1' ' A' ' 29' ' ' HIS . 17.5 t80 -119.5 178.94 4.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -168.95 126.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -74.39 -15.59 60.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.57 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.01 10.4 14.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.3 m -110.33 -31.2 7.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.38 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.57 ' CE1' ' CE1' ' A' ' 24' ' ' PHE . 40.5 m80 -110.2 20.39 17.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.636 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -18.38 14.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -86.68 -2.64 58.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.464 HG11 ' CB ' ' A' ' 36' ' ' ASP . 15.0 t -109.42 133.31 55.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -53.56 159.96 1.39 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 m -75.38 -40.3 58.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 108.323 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.3 p30 -66.54 -9.87 39.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.464 ' CB ' HG11 ' A' ' 32' ' ' VAL . 4.2 t70 -64.6 -18.61 65.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.5 m -134.93 -48.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 108.323 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -74.06 73.39 1.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.611 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.451 ' O ' ' CG ' ' A' ' 39' ' ' HIS . 3.6 p80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.633 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 . . . . . 0 N--CA 1.449 -0.519 0 CA-C-O 118.88 -0.581 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -114.59 -177.18 3.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.431 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -70.28 150.08 48.12 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.1 m -81.19 -30.62 34.26 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.2 p -89.42 20.15 4.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 24.3 m -67.96 155.87 38.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.412 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.401 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.4 OUTLIER -56.32 154.01 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.8 18.86 26.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 16.2 m -131.67 -132.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -93.43 47.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.579 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -87.37 63.9 7.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.2 mm -131.56 108.52 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 67.3 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -176.15 161.64 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.412 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 5.8 p -88.8 38.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -133.41 9.88 4.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.74 134.83 37.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.519 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 32.5 t-105 -91.81 13.33 18.64 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.626 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 10.4 t80 -119.42 -9.2 9.92 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.823 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 5.3 ttmt -100.16 -44.73 5.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.7 m -64.39 -7.99 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.3 t -102.9 -52.05 8.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -96.04 25.66 4.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.615 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.558 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo . . . . . 0 N--CA 1.447 -1.228 0 N-CA-C 109.588 -0.966 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.0 p -137.14 -165.78 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.7 m -77.82 -2.57 37.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 108.306 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 88' ' ' LYS . 3.4 mm -113.7 -44.34 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.58 -61.73 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.033 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 8.2 t -58.9 -57.33 13.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 108.268 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.429 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 9.0 m170 -46.62 -39.28 10.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.604 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' ILE . 1.3 mmtt -60.51 -46.04 91.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -58.06 -41.19 82.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -61.16 -36.39 79.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.516 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -74.06 -21.17 60.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.23 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -85.77 23.2 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -138.6 47.37 1.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 107' ' ' SER . 6.2 ptmt -167.32 -42.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.429 ' HB3' ' ND1' ' A' ' 87' ' ' HIS . 12.3 mt -91.65 -33.9 14.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 103' ' ' GLY . 19.3 p -127.88 8.48 6.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.372 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.547 ' O ' ' CB ' ' A' ' 104' ' ' CYS . . . -33.06 -57.67 0.5 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.547 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 1.7 t 92.51 -39.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.28 105.49 7.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.63 44.01 13.71 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 40.0 p -102.28 -172.17 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.794 . . . . 0.0 110.044 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -78.46 0.25 26.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 88.2 m -108.68 -48.68 3.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 108.252 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -118.04 83.97 20.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.648 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -92.71 68.1 0.64 Allowed 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.304 3.336 . . . . 0.0 109.589 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.952 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -56.23 -165.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.37 28.56 72.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.34 136.03 33.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 0.758 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -117.07 136.34 53.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.5 mt -112.77 125.47 70.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -159.78 91.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -115.2 -27.04 7.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.3 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.2 mt . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 m -102.91 113.0 26.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.404 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.6 t -93.97 129.67 43.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.6 t -95.03 143.67 11.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -133.1 147.77 52.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -132.26 124.02 28.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.355 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -74.74 -17.54 60.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.616 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.0 p -88.04 13.95 10.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.4 m -110.8 -35.67 5.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.413 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.2 m80 -102.42 23.61 11.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.6 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -19.04 13.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -88.08 0.99 55.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.493 HG11 ' CB ' ' A' ' 36' ' ' ASP . 43.1 t -115.73 131.39 68.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -53.59 159.66 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.4 m -74.54 -42.15 59.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 108.256 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.9 p30 -67.04 -9.28 37.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.493 ' CB ' HG11 ' A' ' 32' ' ' VAL . 4.5 t70 -65.11 -18.66 65.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 91.7 m -130.07 -48.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 108.268 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -76.62 78.25 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.569 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.494 ' O ' ' CG ' ' A' ' 39' ' ' HIS . 3.1 p80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.607 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 118.865 -0.588 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -118.82 179.36 4.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.427 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -74.58 146.71 36.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.9 m -79.9 -32.07 40.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.6 p -89.11 19.62 4.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 27.9 m -67.21 156.27 36.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.403 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.9 OUTLIER -56.45 153.53 9.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.42 17.41 25.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 14.9 m -130.13 -133.44 0.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -91.82 47.28 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.591 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -85.12 65.56 9.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.7 mm -132.63 109.01 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 26.4 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.24 158.78 2.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.95 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.6 p -82.55 6.45 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -101.06 9.25 42.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.5 p -74.21 134.72 42.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.956 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.54 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 29.0 t-105 -97.37 15.45 22.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.019 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.653 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 7.8 t80 -121.36 -9.16 9.09 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.817 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.557 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 3.6 ttmm -100.0 -44.22 6.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.7 m -63.46 -9.7 5.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.4 t -99.36 -56.5 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -91.69 24.15 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.586 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo . . . . . 0 N--CA 1.447 -1.241 0 N-CA-C 109.621 -0.954 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.0 p -137.48 -165.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.9 m -77.53 -5.42 50.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 108.341 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 88' ' ' LYS . 8.7 mm -110.0 -43.71 5.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.85 -62.0 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.6 t -59.2 -58.06 10.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 108.28 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.438 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 11.6 m170 -47.09 -39.21 12.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.658 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 84' ' ' ILE . 10.0 mmtm -59.95 -48.27 82.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -56.08 -40.33 73.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -62.22 -43.09 99.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.546 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -72.57 -13.87 61.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -86.03 23.98 1.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -142.76 49.89 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.464 ' HD2' ' CD2' ' A' ' 97' ' ' LEU . 4.2 ptpp? -168.71 -45.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 97' ' ' LEU . 12.8 mt -95.36 -27.39 15.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.1 p -126.49 5.68 6.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.415 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.4 ' O ' ' OG ' ' A' ' 107' ' ' SER . . . -64.58 113.63 6.05 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.1 m -54.92 -53.38 56.26 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.3 137.85 54.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.92 42.41 30.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.13 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 103' ' ' GLY . 74.7 p -115.91 177.53 4.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.751 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.98 -4.09 33.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 87.5 m -104.72 -47.38 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 108.32 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -117.59 83.43 17.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.626 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -92.02 71.05 0.78 Allowed 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.273 3.315 . . . . 0.0 109.578 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -57.6 -158.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.443 ' N ' ' OD2' ' A' ' 6' ' ' ASP . . . 66.09 21.52 69.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.46 106.39 16.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 0.74 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -93.48 131.99 38.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.7 mt -109.95 120.56 61.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -154.01 89.2 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -116.67 -26.79 6.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.8 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 179.945 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.4 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.35 113.48 11.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 110.422 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.3 t -99.22 131.34 46.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.244 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.418 HG11 ' N ' ' A' ' 24' ' ' PHE . 34.3 t -94.91 147.07 6.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.418 ' N ' HG11 ' A' ' 23' ' ' VAL . 93.9 t80 -141.22 150.31 42.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.51 126.89 32.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.403 ' CE1' ' HE2' ' A' ' 24' ' ' PHE . 12.9 m80 -73.44 -14.54 61.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.625 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.6 p -88.43 11.56 16.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 91.4 m -109.22 -34.11 6.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -105.64 23.19 14.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.644 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -20.17 20.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.33 -1.99 58.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.482 HG11 ' CB ' ' A' ' 36' ' ' ASP . 41.9 t -111.22 129.89 65.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -52.07 160.32 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.2 m -75.54 -41.29 55.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 108.328 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -67.85 -8.92 40.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.482 ' CB ' HG11 ' A' ' 32' ' ' VAL . 4.6 t70 -65.84 -18.44 65.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 95.3 m -131.39 -48.58 0.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 108.322 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -78.05 73.39 4.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.616 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.548 ' O ' ' CG ' ' A' ' 39' ' ' HIS . 7.4 p80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.61 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 . . . . . 0 N--CA 1.449 -0.491 0 CA-C-O 118.887 -0.578 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.72 -175.64 3.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.433 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -75.21 144.44 32.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.9 m -79.21 -31.79 43.81 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.353 -0.981 . . . . 0.0 108.353 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.6 p -89.04 19.67 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.44 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 31.5 m -67.37 156.17 37.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -56.3 152.88 10.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.07 21.0 36.8 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 19.0 m -133.45 -133.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 -91.29 48.35 1.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.608 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -87.89 65.02 8.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.6 mm -132.49 109.96 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 67.0 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 mttt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.42 152.99 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.951 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.7 p -79.32 2.04 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -95.77 11.13 34.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 p -76.16 134.36 39.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.951 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.522 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 33.2 t-105 -95.22 15.06 20.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 108.051 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.633 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 13.6 t80 -121.06 -8.18 9.35 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.842 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.544 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 4.8 ttmm -99.26 -43.88 6.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.6 m -64.82 -8.96 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 88.0 t -103.08 -46.14 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -106.1 34.31 3.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.617 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo . . . . . 0 N--CA 1.447 -1.245 0 N-CA-C 109.641 -0.946 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.3 p -129.59 -163.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.389 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.5 m -77.84 -2.04 34.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 108.318 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 88' ' ' LYS . 19.7 mm -112.56 -44.51 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.32 -59.8 4.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 7.8 t -62.03 -58.6 7.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 108.276 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -46.84 -35.93 6.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.544 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 84' ' ' ILE . 3.1 mmtp -62.52 -49.91 73.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -57.4 -38.97 75.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -60.04 -43.84 95.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.527 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -89.22 -24.27 22.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -85.41 21.84 1.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.7 mmtm -137.73 43.75 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -163.53 -47.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.1 mt -89.81 -29.28 18.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.9 p -122.73 2.83 9.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.403 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.89 124.76 36.65 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.5 m -70.74 -47.09 61.53 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -124.32 129.59 51.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.71 44.66 14.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 110.966 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 95.2 p -112.62 174.49 5.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 110.019 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.67 -8.5 42.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 92.3 m -102.03 -46.05 4.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 108.295 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -117.03 83.8 15.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.612 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -91.32 71.1 1.0 Allowed 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.296 3.331 . . . . 0.0 109.548 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.031 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -162.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.55 29.54 72.92 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 111.062 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.92 135.71 37.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -107.49 129.18 54.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.8 mt -119.09 120.36 63.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -164.11 93.85 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -116.0 -25.86 7.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.6 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.9 mt . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.25 116.91 32.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.3 t -101.8 141.23 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.7 t -106.73 151.58 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -141.15 144.8 35.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -127.64 124.14 37.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -73.9 -18.36 60.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.614 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.8 p -88.47 14.44 9.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.0 m -108.49 -37.44 5.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -100.98 24.22 9.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.65 -22.02 20.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.81 -0.62 55.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.502 HG13 ' CB ' ' A' ' 36' ' ' ASP . 33.8 t -114.36 133.27 60.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -55.57 161.85 1.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.0 m -75.47 -43.45 49.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 108.322 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -64.63 -10.27 25.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.502 ' CB ' HG13 ' A' ' 32' ' ' VAL . 4.2 t70 -64.57 -17.95 64.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 90.3 m -130.75 -49.86 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 108.321 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -74.97 57.3 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.618 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.2 p80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.616 -180.0 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 118.889 -0.577 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.64 -175.94 4.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.439 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -78.7 150.46 34.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 18.3 m -80.32 -31.0 38.18 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 16.4 p -89.47 22.91 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.434 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 28.2 m -70.42 155.61 40.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.375 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.96 153.37 8.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.55 24.53 39.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 20.0 m -136.78 -130.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.408 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 52.3 m-70 -94.39 49.5 1.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.601 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -89.46 50.54 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.502 ' CG1' ' O ' ' A' ' 66' ' ' ASN . 1.6 mm -119.53 141.48 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.3 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.0 tptp . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.05 155.25 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.412 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 4.9 p -88.48 40.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.502 ' O ' ' CG1' ' A' ' 57' ' ' ILE . 31.1 m120 -133.51 9.96 4.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.42 140.92 45.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.991 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.511 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 37.9 t-105 -95.42 14.35 22.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 108.027 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.63 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 5.6 t80 -120.82 -15.23 8.39 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.807 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 13.9 ttmm -94.92 -43.94 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.1 m -64.59 -8.23 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.2 t -104.59 -53.17 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -95.07 29.58 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.613 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.405 ' CB ' ' HB2' ' A' ' 85' ' ' SER . 13.7 Cg_endo . . . . . 0 N--CA 1.447 -1.208 0 N-CA-C 109.582 -0.969 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.4 p -130.95 -163.98 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.5 m -78.44 -3.44 43.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.289 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 88' ' ' LYS . 4.4 mm -111.49 -44.38 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.405 ' HB2' ' CB ' ' A' ' 81' ' ' PRO . 0.7 OUTLIER -53.03 -60.48 3.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.002 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.5 t -61.41 -58.44 8.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 108.286 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.423 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 12.4 m170 -46.88 -35.9 6.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 84' ' ' ILE . 2.9 mtpt -62.82 -49.33 75.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -56.65 -40.43 75.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -61.46 -40.6 95.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.339 179.935 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.527 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.8 OUTLIER -74.6 -20.99 59.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -85.38 20.12 2.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.21 44.71 2.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 107' ' ' SER . 8.4 ptpt -163.11 -47.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.423 ' HB3' ' ND1' ' A' ' 87' ' ' HIS . 10.4 mt -90.09 -33.01 16.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 29.3 p -119.55 5.23 11.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.1 115.71 8.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.44 -51.02 71.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.6 141.01 52.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.27 40.04 56.33 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 30.7 p -114.21 -178.7 3.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.779 . . . . 0.0 110.035 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.18 -5.46 44.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 85.0 m -103.45 -46.76 4.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.477 1.111 . . . . 0.0 108.264 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -117.96 83.25 18.62 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.592 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -92.21 70.5 0.75 Allowed 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.365 3.377 . . . . 0.0 109.607 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.017 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.4 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 1' ' ' VAL . 0.3 OUTLIER 58.11 115.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.409 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 0.5 OUTLIER -54.5 119.58 21.72 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -41.23 163.48 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.3 3.333 . . . . 0.0 109.572 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -87.42 151.55 22.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.428 ' CG ' ' N ' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -57.33 -162.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.428 ' N ' ' CG ' ' A' ' 6' ' ' ASP . . . 68.81 28.73 72.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.422 1.076 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.46 136.83 32.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -118.1 139.82 50.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.093 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.8 mt -114.03 133.11 61.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -163.07 86.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -115.33 -26.09 7.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.449 ' CG2' ' HD2' ' A' ' 60' ' ' LYS . 61.6 mt -100.12 97.19 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.8 175.42 7.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -142.28 -179.66 19.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -38.9 -64.8 0.85 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -146.91 24.53 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 0.793 . . . . 0.0 110.315 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -137.44 -166.02 1.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.9 p30 178.48 124.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.496 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 50.4 mt -85.49 98.32 10.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -88.76 111.02 21.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.418 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.9 t -96.84 139.02 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.418 HG11 ' N ' ' A' ' 24' ' ' PHE . 90.0 t -99.55 142.01 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.418 ' N ' HG11 ' A' ' 23' ' ' VAL . 51.9 t80 -136.22 153.41 51.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 40.7 t-20 -138.23 139.54 39.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.453 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 13.0 m80 -86.64 -21.78 26.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.614 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.39 4.59 17.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.011 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.7 m -100.95 -39.75 7.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -100.44 23.01 10.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.613 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -56.42 -19.4 14.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.0 2.69 53.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.7 t -115.0 129.61 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.426 ' O ' ' CMC' ' A' ' 113' ' ' HEC . 6.2 mttp -51.72 158.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.442 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 8.8 m -73.99 -43.47 57.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 108.312 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -65.62 -10.03 32.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -64.82 -18.01 64.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 81.6 m -131.73 -49.27 0.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 108.344 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -76.93 81.85 3.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.579 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.466 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 3.8 p80 -94.74 43.94 1.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 109.646 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' A' ' 39' ' ' HIS . 1.3 mp0 -106.81 148.13 36.33 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' A' ' 42' ' ' GLY . 11.8 Cg_endo -55.06 151.94 32.23 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.3 3.333 . . . . 0.0 109.588 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 43' ' ' ASP . . . -47.55 176.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER 76.27 -57.84 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.77 . . . . 0.0 109.26 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.96 29.12 8.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.52 -38.91 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.239 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -107.9 88.44 2.73 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.84 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.09 169.76 13.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.43 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -60.17 143.99 47.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.9 m -79.63 -30.14 41.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 51.6 p -91.23 20.45 5.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 30.3 m -67.16 155.41 38.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.43 152.99 7.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.38 17.99 34.53 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.3 m -131.95 -135.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.403 ' O ' ' HA ' ' A' ' 50' ' ' THR . 44.2 m-70 -89.84 47.4 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.585 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -87.85 66.26 8.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.404 ' CG1' ' O ' ' A' ' 66' ' ' ASN . 3.8 mm -133.78 109.2 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 72.2 mt -99.49 76.67 2.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -163.33 121.66 1.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.449 ' HD2' ' CG2' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -87.09 46.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 178.37 58.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -117.09 176.87 4.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -133.07 84.5 2.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.77 159.19 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 p -81.27 4.03 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.404 ' O ' ' CG1' ' A' ' 57' ' ' ILE . 27.9 m120 -97.78 12.46 33.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 p -78.33 133.75 37.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.038 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.544 ' O ' ' CG ' ' A' ' 68' ' ' TRP . 28.1 t-105 -95.47 15.51 19.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 107.945 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.624 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 13.2 t80 -122.96 -1.21 8.87 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.819 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 2.7 ttmm -107.25 -39.34 5.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 35.6 m -69.57 -4.58 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.8 t -104.96 -47.21 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -103.9 31.42 4.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.581 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -83.14 100.09 10.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 109.247 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.74 -28.78 58.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -73.83 149.96 41.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.33 -148.14 0.18 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.404 ' C ' ' N ' ' A' ' 80' ' ' LYS . . . 141.65 -171.59 24.32 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.74 -25.35 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.764 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 78' ' ' GLY . 6.8 ptmt -157.97 160.35 29.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -77.94 -177.94 4.24 Favored 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 124.288 3.325 . . . . 0.0 109.562 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.4 p -131.08 -164.32 1.42 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.442 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.8 m -78.26 -1.9 35.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 108.319 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 88' ' ' LYS . 10.0 mm -112.96 -44.19 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.13 -60.48 3.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 110.011 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.7 t -61.56 -58.89 6.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -45.61 -38.29 6.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.585 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 84' ' ' ILE . 4.3 mmtt -60.53 -47.91 84.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.82 -39.82 74.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -63.13 -43.81 97.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.44 21.99 4.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.415 ' O ' ' CB ' ' A' ' 93' ' ' ASP . . . -86.26 62.84 4.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 92' ' ' GLY . 0.9 OUTLIER 160.71 -56.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 96' ' ' GLU . 50.9 t0 -79.76 123.24 27.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 109.345 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -71.54 -37.7 71.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.447 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 7.8 tp10 -66.68 -25.83 66.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -78.31 -20.88 50.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -86.11 22.58 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -142.92 46.66 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 107' ' ' SER . 7.4 ptmt -167.83 -45.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.492 ' O ' ' CMC' ' A' ' 116' ' ' HEC . 11.3 mt -90.06 -32.49 16.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.4 p -122.26 1.19 9.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.401 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.411 ' O ' ' OG ' ' A' ' 107' ' ' SER . . . -56.35 114.93 5.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.502 ' SG ' ' CMB' ' A' ' 116' ' ' HEC . 1.3 m -60.58 -47.13 87.57 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.6 ttmt -124.43 132.34 53.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.34 45.58 14.33 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 103' ' ' GLY . 30.3 p -115.47 176.27 5.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.957 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.67 -6.0 41.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 97.3 m -103.42 -46.28 4.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 108.352 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -116.82 83.88 14.95 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.596 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -89.74 70.48 1.86 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.321 3.347 . . . . 0.0 109.595 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 110.034 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.483 ' CMD' HBD1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . 0.403 HMB2 ' CBB' ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.473 ' CMC' ' CBC' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.548 ' O2A' ' CHA' ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.445 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.1 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' ' 1' ' ' VAL . 0.3 OUTLIER 59.0 119.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.418 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -54.61 120.21 25.92 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.418 ' O ' ' O ' ' A' ' 3' ' ' VAL . 37.0 Cg_exo -40.8 163.65 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.302 3.334 . . . . 0.0 109.627 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.27 149.65 40.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -69.44 -179.35 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.48 46.24 56.51 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.94 116.0 28.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -80.49 139.95 36.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 24' ' ' PHE . 14.3 mt -119.1 128.81 75.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -164.09 95.75 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -116.3 -27.36 6.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 95.4 mt -94.1 99.11 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.14 174.8 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -145.25 -76.28 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.97 -115.92 0.68 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -41.26 -30.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -145.78 -156.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 170.18 130.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.457 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 19.2 mt -74.87 133.89 41.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -126.24 120.21 29.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.51 HG22 ' C2D' ' A' ' 116' ' ' HEC . 88.3 t -97.13 150.11 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.0 t -113.62 142.98 24.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.456 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 24.1 t80 -129.6 171.98 12.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -163.65 121.67 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -74.45 -11.16 60.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.564 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 87.2 p -92.84 19.85 7.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.026 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.6 m -119.38 -37.26 3.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.375 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.402 ' CE1' ' HE1' ' A' ' 24' ' ' PHE . 48.1 m80 -101.91 23.93 10.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.59 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.54 -19.23 14.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -88.06 -1.79 58.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.459 ' CG1' ' CG ' ' A' ' 36' ' ' ASP . 39.1 t -111.39 128.73 67.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -51.29 159.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.453 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 10.9 m -73.85 -43.52 58.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 108.321 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -65.66 -9.57 28.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.459 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 4.2 t70 -64.59 -18.22 64.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 93.4 m -131.31 -49.02 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 108.316 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -76.39 90.32 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.627 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.476 ' O ' ' CG ' ' A' ' 39' ' ' HIS . 2.8 p80 -104.92 45.07 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.619 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 39' ' ' HIS . 1.3 mp0 -106.75 136.07 19.46 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -86.07 149.64 9.43 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.281 3.32 . . . . 0.0 109.576 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.93 164.75 25.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -57.16 -17.97 13.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -91.3 37.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -41.18 -29.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.251 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -106.54 98.87 8.48 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.832 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.81 -177.21 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.427 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -73.46 144.26 34.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.7 m -80.8 -32.83 35.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.7 p -88.99 19.89 3.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 22.9 m -67.1 156.04 37.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.403 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.4 OUTLIER -56.51 153.9 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.0 17.98 24.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 16.3 m -130.84 -132.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -92.55 46.64 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.584 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -86.18 66.11 9.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.2 mm -132.06 108.78 14.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 72.6 mt -102.35 23.59 11.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.67 78.08 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -47.14 143.37 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 60' ' ' LYS . . . 80.05 46.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -104.75 173.16 6.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.29 81.16 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t -176.74 160.54 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.977 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 5.0 p -88.4 38.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -131.04 9.27 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.22 135.02 38.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.17 . . . . 0.0 109.981 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.497 ' O ' ' CG ' ' A' ' 68' ' ' TRP . 40.9 t-105 -92.24 13.34 19.46 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.61 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 14.5 t80 -118.21 -9.31 10.49 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.825 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 6.9 ttmt -99.74 -45.46 5.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 26.9 m -64.71 -8.57 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 74.7 t -103.9 -46.29 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -104.56 32.77 3.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.606 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -84.3 106.39 15.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.03 -28.1 35.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.27 151.19 38.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.34 -147.41 0.37 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 110.972 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.414 ' C ' ' N ' ' A' ' 80' ' ' LYS . . . 140.67 -171.35 24.08 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.39 -25.44 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 0.746 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 78' ' ' GLY . 5.4 ptmt -157.29 161.44 29.32 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -81.01 -178.3 4.29 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.321 3.347 . . . . 0.0 109.616 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.0 p -130.34 -165.03 1.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m -78.03 -2.84 39.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 108.334 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' LYS . 5.7 mm -111.74 -43.99 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.5 -60.85 2.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.018 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 8.8 t -60.57 -57.99 10.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 108.296 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.405 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 7.8 m170 -46.84 -38.92 11.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.622 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 84' ' ' ILE . 7.6 mmtm -59.7 -48.15 82.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -56.08 -40.34 73.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -63.71 -42.77 97.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -95.14 22.37 6.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.416 ' O ' ' CB ' ' A' ' 93' ' ' ASP . . . -86.16 61.55 4.46 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 92' ' ' GLY . 0.9 OUTLIER 160.93 -56.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 0.794 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 96' ' ' GLU . 56.3 t0 -78.04 122.81 26.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -71.83 -37.71 70.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.457 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 19.3 mt-10 -67.21 -25.72 66.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.53 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -78.8 -20.9 48.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -85.86 21.84 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -140.81 45.84 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 107' ' ' SER . 7.3 ptmt -167.0 -43.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.48 ' O ' ' CMC' ' A' ' 116' ' ' HEC . 13.1 mt -93.44 -32.54 14.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.5 p -123.01 4.61 9.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.402 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -60.43 108.43 1.81 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.509 ' SG ' ' CMB' ' A' ' 116' ' ' HEC . 1.2 m -51.36 -51.38 55.06 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -124.14 136.84 54.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.72 43.74 22.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.12 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 72.2 p -117.71 177.91 4.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.73 -4.1 32.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 94.7 m -104.95 -46.59 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 108.302 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -117.58 83.37 17.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.589 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -91.62 71.8 0.85 Allowed 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.294 3.329 . . . . 0.0 109.572 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.008 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.475 HBD2 ' CMD' ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.478 ' CMC' ' CBC' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.551 ' O2A' ' CHA' ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.426 ' O ' ' CB ' ' A' ' 2' ' ' ASP . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 1' ' ' VAL . 2.4 t0 161.54 77.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.554 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 0.4 OUTLIER -53.88 109.83 1.74 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.253 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -48.93 163.04 0.33 Allowed 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.308 3.339 . . . . 0.0 109.606 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -86.05 150.53 24.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 5' ' ' ALA . 0.7 OUTLIER -54.3 -171.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.19 41.97 98.13 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.69 110.9 23.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 0.761 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -85.7 138.25 32.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 24' ' ' PHE . 13.0 mt -112.98 130.9 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -161.49 92.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -115.11 -27.76 7.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 75.6 mt -93.13 80.94 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.4 174.77 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.35 -43.84 0.02 OUTLIER Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.558 1.161 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.97 94.71 1.39 Allowed Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 48.74 28.8 1.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 110.278 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.22 45.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.17 131.06 53.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.48 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 81.0 mt -77.02 134.2 38.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -118.05 110.03 17.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.377 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 23' ' ' VAL . 54.1 t -89.82 145.8 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.41 ' N ' HG11 ' A' ' 22' ' ' VAL . 43.0 t -105.74 127.49 60.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.465 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 17.1 t80 -122.14 168.02 12.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 15.7 t30 -158.0 143.14 16.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.456 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 12.8 m80 -87.45 -27.19 22.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.597 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.403 ' OG ' ' OD1' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -75.14 -0.85 20.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.956 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.45 ' OG1' ' ND2' ' A' ' 25' ' ' ASN . 39.6 m -93.0 -39.45 11.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.461 ' CE1' ' CE1' ' A' ' 24' ' ' PHE . 37.2 m80 -104.63 24.85 11.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.585 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.77 -19.7 18.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.49 -0.75 57.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.469 HG11 ' CB ' ' A' ' 36' ' ' ASP . 35.9 t -109.73 133.69 54.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.419 ' O ' ' CMC' ' A' ' 113' ' ' HEC . 8.3 mmmt -54.46 160.04 1.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.467 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 8.3 m -75.07 -42.77 56.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 108.291 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -65.59 -10.08 32.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.272 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.469 ' CB ' HG11 ' A' ' 32' ' ' VAL . 2.5 t70 -64.75 -18.36 64.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 87.0 m -131.77 -49.11 0.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 108.282 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -76.45 77.67 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.585 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.58 ' O ' ' CG ' ' A' ' 39' ' ' HIS . 5.0 p80 -88.62 61.64 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.594 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.497 ' O ' ' CG ' ' A' ' 45' ' ' GLN . 67.6 mm-40 -134.91 149.86 71.67 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 45' ' ' GLN . 30.4 Cg_endo -56.98 152.06 45.97 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.307 3.338 . . . . 0.0 109.664 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 41' ' ' PRO . . . -47.06 176.69 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.148 . . . . 0.0 110.991 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 t70 69.93 -65.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 42' ' ' GLY . 21.2 mttt -110.32 23.83 13.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 40' ' ' GLN . 11.8 tt0 -63.43 -23.81 67.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -112.82 66.77 0.65 Allowed 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.802 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.04 179.81 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.103 . . . . 0.0 109.356 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.428 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -69.56 149.89 48.91 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.7 m -80.95 -32.09 34.63 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.4 p -88.75 19.49 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.427 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 23.7 m -67.43 156.39 36.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.412 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.69 153.5 10.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.53 20.06 29.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.135 . . . . 0.0 111.032 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 51' ' ' THR . 21.1 m -131.98 -132.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -93.09 48.14 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.577 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -87.18 64.86 8.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.2 mm -131.57 109.1 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.8 mt -102.69 26.61 7.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.57 78.41 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -48.72 142.7 5.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 60' ' ' LYS . . . 77.99 42.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -102.36 177.37 4.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -124.34 84.92 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.7 160.83 2.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.021 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.0 p -86.49 13.52 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -108.49 10.17 27.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 p -75.38 134.45 40.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.986 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.524 ' O ' ' CG ' ' A' ' 68' ' ' TRP . 31.6 t-105 -94.17 14.07 21.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 108.022 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.653 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 5.7 t80 -119.96 -9.27 9.68 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.825 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 7.9 ttmm -99.96 -44.11 6.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 29.9 m -64.25 -8.71 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 80.4 t -102.49 -53.28 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -93.88 25.04 3.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.615 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -77.73 125.63 29.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.75 -3.86 21.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -86.14 152.81 22.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -124.0 166.17 16.64 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.584 1.178 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.91 -82.89 0.13 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.91 -47.42 37.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.405 ' HZ1' ' C3A' ' A' ' 114' ' ' HEC . 2.4 ptmm? -162.41 159.51 20.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.237 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -74.88 -172.7 1.31 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.287 3.325 . . . . 0.0 109.619 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.8 p -137.23 -165.69 1.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.414 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.9 m -77.25 -3.17 38.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 108.273 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 88' ' ' LYS . 6.2 mm -112.24 -44.33 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.5 -61.57 2.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.95 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 6.9 t -59.98 -57.27 13.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 108.269 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.459 ' CE1' HBC2 ' A' ' 116' ' ' HEC . 10.0 m170 -47.59 -37.35 12.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.57 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 84' ' ' ILE . 8.5 mtpt -61.74 -48.38 80.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -56.99 -40.25 76.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -59.96 -40.91 90.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -93.36 23.26 4.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.177 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.401 ' C ' ' OD1' ' A' ' 93' ' ' ASP . . . -85.59 58.9 4.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' A' ' 92' ' ' GLY . 2.3 p-10 167.55 -58.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.427 ' HB3' ' CB ' ' A' ' 97' ' ' LEU . 58.4 t0 -82.3 125.04 30.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -73.86 -40.63 63.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.429 ' O ' ' NZ ' ' A' ' 100' ' ' LYS . 11.7 tt0 -65.92 -27.38 68.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.524 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.8 OUTLIER -74.69 -19.04 60.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -85.87 22.48 1.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -137.35 47.22 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.451 ' HD2' ' CD2' ' A' ' 97' ' ' LEU . 3.4 ptpp? -164.34 -47.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.462 ' CD1' ' O2D' ' A' ' 115' ' ' HEC . 11.3 mt -90.15 -28.98 18.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.0 p -122.76 4.19 9.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.39 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.1 117.01 10.18 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.501 ' SG ' ' CMB' ' A' ' 116' ' ' HEC . 0.8 OUTLIER -58.83 -57.19 14.13 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -121.87 138.48 54.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.15 42.15 29.78 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.1 p -117.8 -179.73 3.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.76 . . . . 0.0 110.038 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.42 -3.96 33.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 77.4 m -104.67 -47.34 4.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 108.284 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -118.01 83.1 18.49 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 109.608 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -92.05 71.91 0.72 Allowed 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.282 3.321 . . . . 0.0 109.616 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.484 ' CGA' HMA2 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . 0.405 ' C3A' ' HZ1' ' A' ' 80' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.464 HMC3 ' CBC' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.554 ' O2A' ' CHA' ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.458 HG11 ' H2 ' ' A' ' 1' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.27 118.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.404 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 0.7 OUTLIER -54.6 118.95 18.38 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 3' ' ' VAL . 42.7 Cg_exo -41.39 163.78 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.259 3.306 . . . . 0.0 109.611 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.12 150.34 24.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.09 -166.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.57 35.93 67.92 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.42 99.94 11.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.47 ' HD3' ' CG2' ' A' ' 21' ' ' THR . 0.0 OUTLIER -72.71 145.61 47.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 109.329 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.4 mt -125.58 125.59 68.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -165.49 92.89 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -115.27 -24.38 8.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.456 ' CG2' ' HD2' ' A' ' 60' ' ' LYS . 72.3 mt -98.22 94.4 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.76 174.38 1.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -146.0 -169.99 14.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.43 -78.41 0.09 OUTLIER Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -133.35 26.46 4.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 0.764 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -153.1 -161.06 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -178.94 131.58 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.486 ' CD1' ' O1A' ' A' ' 116' ' ' HEC . 35.1 mt -74.65 88.91 2.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.47 ' CG2' ' HD3' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -80.94 112.41 18.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 110.367 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.8 t -101.37 144.52 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.0 t -105.05 137.63 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -132.8 150.41 52.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 37.0 t30 -137.03 144.84 43.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.451 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 16.4 m80 -87.24 -25.34 24.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.609 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.401 ' OG ' ' OD1' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -74.67 -1.91 23.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.018 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.6 m -93.59 -40.05 10.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -103.18 23.99 11.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.63 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -57.1 -18.28 14.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -90.99 1.65 56.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.451 HG11 ' CB ' ' A' ' 36' ' ' ASP . 54.0 t -112.1 130.54 65.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -52.25 155.96 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.478 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 9.5 m -71.33 -46.5 60.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 108.306 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.5 p30 -63.17 -10.24 14.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.451 ' CB ' HG11 ' A' ' 32' ' ' VAL . 4.9 t0 -64.23 -18.03 64.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.8 m -131.9 -49.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.308 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.74 82.87 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 109.622 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.457 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 4.4 p80 -95.75 42.32 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.585 1.178 . . . . 0.0 109.662 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 39' ' ' HIS . 1.2 mp0 -106.38 149.54 38.39 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 42' ' ' GLY . 10.8 Cg_endo -53.35 151.72 22.23 Favored 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.268 3.312 . . . . 0.0 109.565 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 41' ' ' PRO . . . -48.37 178.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.562 1.164 . . . . 0.0 110.956 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 73.3 -59.49 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.766 . . . . 0.0 109.353 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -113.45 26.5 10.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -40.23 -39.02 0.85 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -105.23 87.46 2.63 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.84 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.36 -176.78 3.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.423 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -74.45 145.64 34.68 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.554 1.159 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.8 m -80.55 -32.63 36.65 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.3 p -88.78 19.26 4.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 24.1 m -67.09 155.86 37.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.403 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 11.2 t0 -56.1 153.65 8.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.63 20.32 31.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.142 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 16.5 m -133.08 -133.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -91.56 48.08 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.59 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -88.99 65.97 7.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.4 mm -132.92 108.89 13.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 67.5 mt -99.71 74.45 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -162.58 120.46 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.456 ' HD2' ' CG2' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -86.51 46.53 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -179.02 57.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -116.96 177.69 4.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.85 85.25 2.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.41 163.21 2.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.996 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.3 p -86.16 12.4 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -106.32 11.41 31.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.7 p -77.41 133.63 38.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.007 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.526 ' O ' ' CG ' ' A' ' 68' ' ' TRP . 30.8 t-105 -93.4 13.99 19.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 108.018 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.615 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 15.6 t80 -121.36 -2.01 9.59 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.848 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 4.3 ttmm -105.86 -41.13 5.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.6 m -68.83 -5.29 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.82 -49.18 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -102.28 31.04 4.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.616 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -81.46 100.5 9.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.53 -25.11 49.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -77.95 148.0 34.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.72 -148.31 0.07 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.421 ' C ' ' N ' ' A' ' 80' ' ' LYS . . . 140.8 -174.14 22.81 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.61 -27.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.421 ' N ' ' C ' ' A' ' 78' ' ' GLY . 6.2 ptmt -156.95 160.47 30.67 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -77.02 -177.19 3.64 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.304 3.336 . . . . 0.0 109.584 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.7 p -132.03 -164.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.357 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.8 m -77.62 -2.82 37.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 108.301 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 88' ' ' LYS . 6.0 mm -111.88 -44.93 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.62 -60.3 3.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.997 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 7.3 t -61.45 -57.37 12.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 108.343 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.455 ' CE1' HBC1 ' A' ' 116' ' ' HEC . 9.8 m170 -47.49 -33.27 6.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.591 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 84' ' ' ILE . 5.0 mtpt -67.51 -48.78 66.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -58.05 -38.46 76.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -59.75 -42.84 94.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.18 -77.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.95 -120.89 6.4 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.86 -39.14 36.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 0.769 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -54.58 102.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -69.6 -32.4 71.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -66.29 -34.27 77.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.532 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -76.62 -26.74 55.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -84.72 22.83 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -136.91 42.91 2.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt -162.43 -50.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.234 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.461 HD13 ' CGD' ' A' ' 115' ' ' HEC . 11.4 mt -83.44 -27.92 29.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 28.4 p -120.75 -2.25 9.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.421 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -49.69 129.12 25.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.444 1.09 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.49 ' SG ' ' CMB' ' A' ' 116' ' ' HEC . 1.2 m -78.09 -50.2 12.49 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -121.54 127.04 50.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.93 44.61 13.86 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.1 p -110.49 174.57 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.776 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.14 -9.29 45.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 91.1 m -101.89 -45.32 5.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 108.279 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -117.22 84.08 16.77 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.602 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -91.72 70.39 0.91 Allowed 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.306 3.337 . . . . 0.0 109.635 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.478 ' CHC' ' HA ' ' A' ' 34' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . 0.457 ' CMB' HBB2 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.469 ' CMC' ' CBC' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.547 ' CHA' ' O1A' ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.8 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' A' ' 1' ' ' VAL . 8.3 m-20 59.65 118.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.122 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.36 121.62 32.9 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -40.73 163.22 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.284 3.323 . . . . 0.0 109.651 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.85 151.33 23.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.9 -167.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.37 29.51 71.76 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.23 135.85 33.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.792 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -117.92 135.48 54.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.8 mt -114.39 125.31 71.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -158.22 90.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -115.53 -25.29 7.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.9 mt -98.44 85.75 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.75 176.98 1.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -140.45 -62.12 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 147.89 -80.4 0.21 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -60.79 -26.11 67.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 0.785 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -158.75 -160.81 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.403 ' O ' ' OD1' ' A' ' 19' ' ' ASN . 29.8 p-10 -173.84 123.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.477 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 24.2 mt -75.51 132.55 40.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.02 114.36 20.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.419 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.0 t -97.08 127.15 49.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.6 t -92.58 139.33 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.435 ' CE1' ' CE1' ' A' ' 29' ' ' HIS . 44.8 t80 -131.82 145.62 51.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.99 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.17 124.19 34.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -74.77 -18.3 60.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.8 p -88.2 15.79 7.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.041 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.8 m -113.17 -33.31 6.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.435 ' CE1' ' CE1' ' A' ' 24' ' ' PHE . 67.5 m80 -103.26 23.07 13.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.629 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -56.69 -18.35 12.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.74 0.64 55.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.495 ' CG1' ' CG ' ' A' ' 36' ' ' ASP . 21.8 t -117.45 128.6 74.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -51.56 159.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.259 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.476 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 9.8 m -73.6 -40.95 63.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 108.333 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -67.61 -8.69 36.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.495 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 4.7 t70 -65.67 -17.8 64.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.7 m -131.24 -48.68 1.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 108.345 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -76.38 88.13 3.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.605 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.57 ' O ' ' CG ' ' A' ' 39' ' ' HIS . 4.0 p80 -101.29 64.09 1.01 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.588 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.472 ' O ' ' C ' ' A' ' 41' ' ' PRO . 97.1 mm-40 -140.34 151.72 64.97 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.472 ' C ' ' O ' ' A' ' 40' ' ' GLN . 52.0 Cg_exo -27.92 140.21 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.327 3.351 . . . . 0.0 109.568 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -51.17 -51.95 33.66 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.09 -65.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -101.15 37.55 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' PRO . 18.4 tt0 -38.13 -45.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -101.98 103.0 13.61 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.828 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.91 -175.47 3.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.57 136.59 16.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.1 m -75.35 -32.97 61.05 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 p -89.83 20.43 4.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 54' ' ' CYS . 89.1 m -70.1 156.04 39.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -55.14 151.69 8.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.38 28.38 55.13 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.445 1.091 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 51' ' ' THR . 30.1 m -140.36 -131.76 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -94.43 49.8 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -92.1 67.76 5.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.8 mm -133.89 110.64 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.0 mt -101.85 66.06 1.03 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -150.73 99.37 2.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -69.96 59.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 60' ' ' LYS . . . 162.09 60.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -122.51 179.03 4.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.26 86.53 2.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.35 157.9 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.7 p -81.99 4.78 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -98.57 11.47 38.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.358 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 p -76.81 133.26 39.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.523 ' O ' ' CG ' ' A' ' 68' ' ' TRP . 32.1 t-105 -94.52 14.35 21.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 107.998 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.617 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 15.2 t80 -122.31 -1.77 9.13 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.853 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 2.9 ttmm -106.85 -42.41 4.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 30.2 m -64.9 -9.37 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.5 t -102.03 -52.49 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -94.46 25.12 4.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.589 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.558 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -77.46 99.34 5.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.7 -7.62 53.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -132.76 140.27 47.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -173.96 144.22 7.48 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.563 1.165 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 79' ' ' ALA . . . -112.96 -70.13 0.55 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 78' ' ' GLY . . . -39.84 -39.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.423 ' HZ1' ' CD2' ' A' ' 39' ' ' HIS . 13.2 ptmt -163.64 157.88 16.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -78.71 -170.75 1.06 Allowed 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.366 3.377 . . . . 0.0 109.532 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.2 p -137.46 -166.42 1.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.9 m -77.5 -3.79 42.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 108.295 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 88' ' ' LYS . 6.7 mm -111.71 -43.85 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.49 -60.7 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 10.9 t -61.33 -56.8 16.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 108.275 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.427 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 10.0 m170 -47.34 -36.95 10.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.628 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 84' ' ' ILE . 6.4 mttm -61.7 -47.27 86.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -57.53 -39.21 76.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -62.68 -40.08 95.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -96.37 23.88 6.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 93' ' ' ASP . . . -86.25 61.07 4.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.098 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 92' ' ' GLY . 0.9 OUTLIER 162.47 -54.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.78 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.425 ' HB3' ' CB ' ' A' ' 97' ' ' LEU . 60.7 t0 -81.7 123.51 28.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -73.0 -39.76 65.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.401 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 2.8 tp10 -66.36 -27.53 67.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.526 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -75.7 -20.07 58.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -86.31 22.62 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.71 48.31 1.92 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -167.38 -45.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.473 HD13 ' CGD' ' A' ' 115' ' ' HEC . 13.7 mt -91.21 -32.57 15.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.6 p -122.31 14.2 10.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.28 119.39 7.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.147 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.498 ' SG ' ' CMB' ' A' ' 116' ' ' HEC . 1.0 OUTLIER -61.26 -53.15 60.49 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.35 137.83 54.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.13 41.06 40.58 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 95.7 p -113.37 175.51 5.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.988 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.29 -6.69 41.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 95.8 m -102.12 -46.84 4.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 108.327 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -117.47 83.54 17.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.597 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -91.42 71.87 0.91 Allowed 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.308 3.339 . . . . 0.0 109.625 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.0 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.5 ' CMA' ' CBA' ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . 0.459 HMB3 ' CBB' ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.479 ' CMC' ' CBC' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.543 ' CHA' ' O1A' ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.422 ' O ' ' CB ' ' A' ' 2' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 1' ' ' VAL . 14.6 t0 76.8 115.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.401 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 0.3 OUTLIER -54.46 120.62 27.7 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -41.42 164.04 0.03 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.33 3.353 . . . . 0.0 109.584 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.67 151.52 23.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.413 ' OD2' ' N ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -55.69 -167.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' N ' ' OD2' ' A' ' 6' ' ' ASP . . . 69.58 32.1 71.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.87 135.2 33.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 109.256 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -113.62 133.56 55.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 mt -111.94 124.42 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -158.78 92.38 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.174 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -115.22 -27.68 7.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 76.5 mt -94.85 101.39 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.83 175.64 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -140.95 -163.74 9.64 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.76 -64.25 0.69 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -78.91 -32.51 45.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -163.49 -157.53 0.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -156.42 130.99 8.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.8 mt -74.83 133.88 41.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -120.71 117.6 27.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.409 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.8 t -99.76 136.51 30.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.9 t -100.18 135.05 37.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -127.12 145.98 50.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -128.75 125.48 37.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -74.72 -20.12 59.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.583 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.1 p -88.09 16.03 6.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 110.036 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.6 m -110.66 -35.12 6.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.414 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -103.55 23.84 12.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.586 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.2 -19.82 15.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -84.66 -2.57 57.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.524 ' CG1' ' CG ' ' A' ' 36' ' ' ASP . 7.6 t -114.41 130.8 68.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.61 159.39 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.469 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 8.4 m -72.83 -41.56 64.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 108.28 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -66.34 -9.72 35.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.524 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 3.5 t70 -65.09 -18.45 65.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 96.2 m -130.25 -49.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 108.327 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -76.45 74.78 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.599 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.583 ' CE1' ' HB2' ' A' ' 40' ' ' GLN . 8.2 p80 -84.34 -57.36 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.586 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 1.9 mp0 -98.83 111.58 60.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.408 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 37.8 Cg_endo -88.0 103.95 0.5 Allowed 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.276 3.318 . . . . 0.0 109.558 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.51 -57.51 15.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.73 -37.57 3.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' TYR . 9.1 mttt -141.44 171.6 13.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.08 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' LYS . 16.0 tp60 -37.9 -31.82 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.432 ' N ' ' O ' ' A' ' 44' ' ' LYS . 20.6 m-85 -119.28 124.49 46.82 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.785 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.56 -176.88 5.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.426 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -76.96 145.54 31.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 25.6 m -80.13 -35.15 37.12 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 19.5 p -89.41 21.67 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 25.8 m -66.73 156.37 35.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.402 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.87 152.82 6.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.53 20.59 31.4 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 51' ' ' THR . 17.1 m -134.14 -137.02 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.427 ' O ' ' HA ' ' A' ' 50' ' ' THR . 51.8 m-70 -86.47 44.88 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.601 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -83.91 68.71 10.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.7 mm -133.76 109.26 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.5 mt -103.26 25.56 9.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.59 77.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.556 ' HG3' ' CD2' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -43.02 153.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 62.07 54.43 2.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -110.57 175.73 5.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.547 1.155 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -122.56 83.34 2.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.07 158.41 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.2 p -83.59 7.58 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -101.42 8.41 42.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 p -74.97 136.68 41.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.552 ' O ' ' CG ' ' A' ' 68' ' ' TRP . 30.0 t-105 -97.37 17.41 17.51 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.653 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 7.9 t80 -122.81 -7.18 8.49 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.808 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.568 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 5.3 ttmt -101.71 -42.86 6.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.5 m -64.17 -7.92 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.9 t -104.99 -53.31 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -94.56 25.96 3.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.596 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.568 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.7 OUTLIER -75.18 103.45 5.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.68 -4.26 59.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.15 147.58 24.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.48 -160.55 0.65 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.431 1.082 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.402 ' C ' ' N ' ' A' ' 80' ' ' LYS . . . 150.72 -172.76 30.4 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.96 -26.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 78' ' ' GLY . 6.8 ptmt -156.59 159.96 31.03 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -73.67 -171.71 0.91 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.289 3.326 . . . . 0.0 109.601 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.9 p -138.0 -165.69 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 110.376 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.8 m -77.07 -3.38 38.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 108.255 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 88' ' ' LYS . 8.5 mm -112.07 -44.54 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.32 -61.26 2.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 6.6 t -60.4 -57.74 11.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 108.307 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.446 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 10.6 m170 -47.02 -37.56 9.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.599 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 84' ' ' ILE . 12.1 mttt -60.98 -47.37 86.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -55.98 -40.86 73.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.46 ' HE2' ' CMD' ' A' ' 115' ' ' HEC . 19.4 mmtm -62.71 -41.95 99.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.81 22.49 4.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 93' ' ' ASP . . . -86.95 60.92 4.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.456 1.097 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.442 ' CB ' ' O ' ' A' ' 92' ' ' GLY . 0.9 OUTLIER 160.62 -57.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 0.722 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 96' ' ' GLU . 55.1 t0 -78.12 125.08 28.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -73.53 -39.72 64.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.442 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 6.4 tp10 -65.38 -26.14 67.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.538 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -76.96 -20.99 55.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -85.82 24.49 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -143.52 48.06 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -167.5 -46.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.331 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.462 HD13 ' CGD' ' A' ' 115' ' ' HEC . 10.8 mt -91.2 -32.17 15.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.8 p -121.29 6.91 10.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.443 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -63.48 115.54 8.11 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.502 ' SG ' ' CMB' ' A' ' 116' ' ' HEC . 0.9 OUTLIER -57.78 -54.97 40.91 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -123.71 138.54 54.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.22 42.2 29.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.4 p -117.66 -179.68 3.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.52 -4.61 37.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 93.5 m -104.07 -46.99 4.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 108.278 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -118.41 83.59 21.36 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.593 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -92.73 73.23 0.48 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.28 3.32 . . . . 0.0 109.567 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.505 ' CMA' ' CBA' ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . 0.525 ' C3C' ' HB3' ' A' ' 40' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.478 ' CMC' ' CBC' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.51 ' CHA' ' O1A' ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 57.7 109.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -54.57 121.03 30.67 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 3' ' ' VAL . 37.4 Cg_exo -40.43 163.18 0.02 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.335 3.357 . . . . 0.0 109.581 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -86.45 153.27 22.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.265 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' ALA . 1.2 p-10 -55.49 -167.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.89 34.73 65.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.62 135.54 33.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -115.25 136.38 53.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.1 mt -115.34 124.65 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -160.48 92.49 0.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -116.38 -27.6 6.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 71.3 mt -95.34 101.99 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.53 90.3 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.247 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.05 170.46 42.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 17' ' ' GLU . . . 87.5 78.49 1.25 Allowed Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER 72.61 -52.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.789 . . . . 0.0 110.274 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -159.2 -51.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 171.26 107.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.491 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 36.3 mt -74.7 108.09 7.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -97.82 111.61 23.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 110.428 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.0 t -96.9 131.03 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 64.8 t -93.98 141.19 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.405 ' C ' ' ND2' ' A' ' 25' ' ' ASN . 51.0 t80 -131.92 159.57 38.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.405 ' ND2' ' C ' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -142.88 125.8 16.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -75.47 -16.34 60.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.6 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.5 p -90.37 15.42 10.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.2 m -112.49 -28.77 7.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.425 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -111.15 22.47 15.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 109.545 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -56.66 -19.05 14.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.29 -2.57 58.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.486 ' CG1' ' CG ' ' A' ' 36' ' ' ASP . 13.0 t -112.84 131.38 64.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -52.81 157.74 1.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.457 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 10.7 m -72.59 -40.85 66.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 108.278 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.6 p30 -67.71 -8.82 38.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.486 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 3.9 t70 -65.27 -18.61 65.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.6 m -130.78 -48.13 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 108.28 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -77.84 79.52 4.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.599 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.464 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 4.2 p80 -92.3 42.64 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.584 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 39' ' ' HIS . 1.3 mp0 -107.94 151.41 41.23 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -49.3 141.76 23.67 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.308 3.339 . . . . 0.0 109.585 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.449 ' C ' ' N ' ' A' ' 44' ' ' LYS . . . -46.24 -45.19 15.63 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.566 1.166 . . . . 0.0 111.051 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' GLY . 14.2 t70 -40.35 -29.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.743 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.449 ' N ' ' C ' ' A' ' 42' ' ' GLY . 38.2 pttt -154.27 50.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -40.42 -51.93 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -98.0 99.66 10.95 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.824 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.1 -176.86 4.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.428 ' O ' ' CMC' ' A' ' 114' ' ' HEC . . . -75.37 143.46 30.57 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.5 m -80.95 -34.64 33.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 72.2 p -88.91 19.1 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 19.9 m -65.31 156.05 33.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.402 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 4.6 t70 -55.77 153.24 8.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.68 15.68 19.79 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.549 1.156 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 13.6 m -128.84 -135.93 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.404 ' O ' ' HA ' ' A' ' 50' ' ' THR . 44.4 m-70 -88.46 44.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.599 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -84.39 65.84 9.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.8 mm -133.56 108.64 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 47.5 mt -103.0 28.6 6.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.13 79.2 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -49.79 143.32 7.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 60' ' ' LYS . . . 77.96 44.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -108.28 176.47 5.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -122.23 84.66 2.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.1 t -175.18 153.77 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.4 p -79.22 1.26 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -96.02 13.05 28.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.24 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.2 p -78.66 133.5 37.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.511 ' O ' ' CG ' ' A' ' 68' ' ' TRP . 33.2 t-105 -93.21 13.03 22.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 108.005 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.644 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 9.7 t80 -119.06 -7.38 10.37 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.821 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 9.8 tttm -99.77 -44.97 5.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.0 m -64.79 -9.46 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 74.3 t -101.14 -47.85 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -103.6 32.87 3.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.581 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -84.49 109.0 17.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.16 -22.2 28.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -76.98 154.04 33.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -129.59 158.72 22.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.12 -81.03 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.13 -48.32 24.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.8 ptmt -156.08 160.62 30.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -80.83 171.53 14.24 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.327 3.351 . . . . 0.0 109.58 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.2 p -123.43 -162.12 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.405 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.2 m -78.82 0.42 27.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 108.293 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 88' ' ' LYS . 7.7 mm -112.94 -46.57 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 t -52.58 -59.25 4.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.028 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.8 t -62.0 -59.78 4.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 108.317 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.422 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 11.3 m170 -46.75 -31.41 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.632 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 84' ' ' ILE . 0.7 OUTLIER -69.94 -50.75 38.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.17 -38.34 70.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.47 ' HE2' ' CMD' ' A' ' 115' ' ' HEC . 7.0 mmtm -58.54 -41.88 86.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -81.67 -79.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.522 ' O ' ' CB ' ' A' ' 93' ' ' ASP . . . 43.99 95.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.559 1.162 . . . . 0.0 111.005 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER 83.98 -49.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.477 ' N ' ' CG ' ' A' ' 93' ' ' ASP . 35.8 t0 -56.24 95.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -35.24 76.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -67.18 -29.73 69.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.535 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -96.22 -20.0 18.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 94' ' ' ASP . 1.4 tmtp? -85.98 23.27 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -138.24 48.21 1.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -165.22 -47.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.478 ' O ' ' CMC' ' A' ' 116' ' ' HEC . 14.0 mt -87.52 -29.38 21.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 32.8 p -119.52 -2.52 10.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -50.97 122.8 14.93 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.487 ' SG ' ' CMB' ' A' ' 116' ' ' HEC . 1.2 m -69.59 -51.15 37.83 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.4 130.89 53.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.61 44.3 16.39 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.3 p -113.93 177.32 4.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 109.979 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.78 -7.01 41.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 91.5 m -103.16 -46.39 4.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 108.297 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -117.08 83.95 15.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.567 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -91.29 72.78 0.87 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.323 3.349 . . . . 0.0 109.57 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.47 ' CMA' ' CBA' ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . 0.466 HMB3 ' CBB' ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.477 ' CMC' ' CBC' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.553 ' CHA' ' O1A' ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.487 ' O ' ' CB ' ' A' ' 2' ' ' ASP . 1.5 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 1' ' ' VAL . 0.9 OUTLIER 81.46 87.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.406 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 0.4 OUTLIER -54.58 120.08 25.03 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 3' ' ' VAL . 52.0 Cg_exo -41.86 165.19 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.355 3.37 . . . . 0.0 109.552 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.94 150.08 27.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -165.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.02 45.82 92.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.99 138.72 36.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -112.71 137.04 51.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.1 mt -114.85 125.75 72.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -161.33 96.19 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -117.61 -29.93 5.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.4 mt -86.58 78.28 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.43 172.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 172.94 57.93 0.05 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 57.55 -146.36 37.82 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -90.53 27.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.03 49.96 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.2 131.93 46.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 85.5 mt -77.25 134.66 38.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.4 m -119.2 112.82 19.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.391 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.2 t -92.79 138.79 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.2 t -103.2 139.32 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -123.82 175.9 6.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.133 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -160.75 121.73 2.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -74.97 -19.49 60.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.583 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.9 p -87.78 15.74 6.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.033 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.4 m -112.87 -33.74 5.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.376 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -106.88 24.99 11.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.596 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -19.52 17.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -87.06 -1.28 57.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.453 HG11 ' CB ' ' A' ' 36' ' ' ASP . 18.5 t -111.61 128.86 67.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -51.32 156.39 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.454 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 12.8 m -71.99 -38.99 69.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 108.346 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -70.45 -6.93 39.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.453 ' CB ' HG11 ' A' ' 32' ' ' VAL . 2.1 t70 -67.22 -18.42 65.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 99.9 m -130.32 -47.53 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 108.308 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -78.45 81.34 4.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.594 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.486 ' O ' ' CG ' ' A' ' 39' ' ' HIS . 2.7 p80 -96.03 45.72 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.623 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 39' ' ' HIS . 1.3 mp0 -106.81 135.52 19.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -85.74 148.52 9.71 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.301 3.334 . . . . 0.0 109.591 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.83 166.63 26.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.0 -16.72 19.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.64 36.21 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -41.48 -29.63 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.264 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -106.32 96.03 6.18 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.838 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.77 -177.02 4.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.421 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -74.63 145.54 34.27 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.0 m -81.37 -32.63 32.79 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.8 p -89.04 19.93 3.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.412 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 19.7 m -67.5 156.15 37.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 19.0 p-10 -56.83 153.66 10.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.09 18.05 25.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 16.4 m -130.4 -131.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -93.74 47.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.575 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -85.85 64.55 8.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.494 ' CG2' ' OD1' ' A' ' 59' ' ' ASP . 3.2 mm -131.5 108.92 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 54.9 mt -101.52 10.93 39.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.494 ' OD1' ' CG2' ' A' ' 57' ' ' ILE . 0.8 OUTLIER -101.99 71.51 1.28 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.558 ' HD2' ' CE2' ' A' ' 69' ' ' TYR . 7.3 ttpt -40.2 158.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.419 ' N ' ' HG2' ' A' ' 60' ' ' LYS . . . 63.91 44.72 4.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -102.49 176.65 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.6 84.35 2.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.73 164.4 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.938 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.422 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 5.3 p -89.79 24.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -120.09 9.88 11.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 p -76.06 134.67 40.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.499 ' O ' ' CG ' ' A' ' 68' ' ' TRP . 39.5 t-105 -93.66 13.45 22.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 108.05 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.632 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 6.0 t80 -118.73 -11.14 9.86 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.843 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 5.8 ttmm -98.0 -44.87 6.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 26.9 m -64.62 -8.75 5.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 71.9 t -103.66 -46.13 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -103.58 31.65 4.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.579 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -84.94 107.36 17.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.84 -22.16 50.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -118.7 141.37 48.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -174.62 136.73 3.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 79' ' ' ALA . . . -105.62 -67.31 0.69 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' GLY . . . -39.94 -46.13 1.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -161.25 159.42 24.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -80.36 -178.78 4.71 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.394 3.396 . . . . 0.0 109.563 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.6 p -129.58 -164.47 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.369 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.9 m -78.15 -4.25 46.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 108.281 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 88' ' ' LYS . 6.6 mm -110.32 -44.17 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.41 -60.35 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.963 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.4 t -60.67 -58.79 6.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.322 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -46.54 -37.95 8.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.589 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 84' ' ' ILE . 14.2 mtpt -60.38 -48.34 82.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -56.42 -40.62 75.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -61.76 -40.62 95.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -95.67 22.45 7.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 93' ' ' ASP . . . -85.5 61.13 4.63 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.405 ' CB ' ' O ' ' A' ' 92' ' ' GLY . 1.6 p-10 163.26 -58.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 96' ' ' GLU . 59.0 t0 -79.39 125.03 29.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -73.48 -40.35 64.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.425 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 23.6 tt0 -65.4 -26.99 68.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.52 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -75.7 -20.8 58.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -86.01 22.69 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.46 46.41 1.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -166.33 -45.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.458 ' O ' ' CMC' ' A' ' 116' ' ' HEC . 16.0 mt -91.89 -32.26 15.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.9 p -120.06 2.94 10.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.406 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.7 117.29 9.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.502 ' SG ' ' CMB' ' A' ' 116' ' ' HEC . 1.2 m -60.95 -52.39 65.23 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.62 133.81 53.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.36 45.35 11.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.4 p -119.13 -179.51 3.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 110.023 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.24 -4.0 33.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 87.0 m -105.88 -46.54 4.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 108.286 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -117.32 83.64 16.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.609 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -91.62 72.53 0.8 Allowed 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.287 3.324 . . . . 0.0 109.568 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 98.4 p . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.907 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.501 ' CMA' HBA1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . 0.404 ' CHC' ' OE1' ' A' ' 40' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.466 ' CMC' ' CBC' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.561 ' CHA' ' O1A' ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 59.83 114.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.419 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 0.8 OUTLIER -54.53 117.6 13.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 3' ' ' VAL . 38.7 Cg_exo -41.53 164.01 0.03 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.295 3.33 . . . . 0.0 109.639 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.01 150.56 24.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -164.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.17 35.08 70.21 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.7 97.3 9.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 0.747 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -70.79 142.16 51.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.4 mt -123.36 121.65 63.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -160.95 91.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -115.35 -25.85 7.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.428 ' CG2' ' HE2' ' A' ' 60' ' ' LYS . 49.4 mt -98.07 96.68 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.43 154.16 35.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -152.87 126.13 1.93 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 41.31 -142.52 0.96 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -90.44 22.57 3.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.735 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -139.8 -163.52 1.52 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 169.61 128.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.415 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 37.6 mt -74.71 117.73 16.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.89 112.35 25.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.432 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.0 t -98.26 141.67 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.2 t -105.29 140.68 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.442 ' CE1' ' CE1' ' A' ' 29' ' ' HIS . 45.2 t80 -133.75 150.29 51.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 48.7 t-20 -135.53 142.43 45.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.454 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 14.9 m80 -87.11 -21.06 26.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.607 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.22 6.28 17.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.5 m -102.09 -39.5 7.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.442 ' CE1' ' CE1' ' A' ' 24' ' ' PHE . 46.8 m80 -102.73 23.65 11.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.609 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -56.68 -18.69 13.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.23 -0.44 57.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.486 ' CG1' ' CG ' ' A' ' 36' ' ' ASP . 17.4 t -112.65 130.8 65.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -51.61 160.97 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.464 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 10.6 m -75.56 -40.39 56.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 108.332 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.0 p30 -68.4 -8.19 38.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.486 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 4.6 t70 -66.21 -18.03 65.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 86.4 m -131.66 -48.84 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 108.321 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -77.58 68.0 3.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.574 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.554 ' O ' ' CG ' ' A' ' 39' ' ' HIS . 5.8 p80 -76.93 58.02 1.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.574 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -131.23 151.82 79.51 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 42' ' ' GLY . 38.3 Cg_endo -58.51 152.65 53.48 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.348 3.365 . . . . 0.0 109.634 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 41' ' ' PRO . . . -48.74 179.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 73.69 -68.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.31 22.5 15.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -46.39 -38.97 9.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -102.75 91.27 4.1 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.012 -0.994 . . . . 0.0 109.813 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.37 175.73 9.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.402 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -66.91 139.77 37.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.464 1.103 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.2 m -75.36 -29.57 59.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 50.4 p -91.59 23.12 3.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 89.5 m -71.97 154.98 40.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -54.67 153.29 6.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.352 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.45 25.43 49.4 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.464 1.103 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.1 m -138.92 -131.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.255 -1.016 . . . . 0.0 108.255 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -94.19 49.95 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.595 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -88.3 63.08 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.2 mm -132.31 115.33 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.5 mt -106.37 76.81 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -163.08 124.26 2.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.428 ' HE2' ' CG2' ' A' ' 13' ' ' ILE . 10.1 mtmt -87.41 46.19 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 177.35 58.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -115.46 176.7 4.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -133.15 84.32 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.9 p -175.51 162.3 2.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.1 p -85.13 9.48 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -104.33 14.32 30.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.6 p -78.0 133.25 38.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.527 ' O ' ' CG ' ' A' ' 68' ' ' TRP . 30.8 t-105 -94.4 14.38 20.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 107.999 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.626 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 15.2 t80 -124.14 -1.27 8.25 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.802 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.449 ' O ' ' HB2' ' A' ' 74' ' ' ASP . 2.7 ttmm -107.69 -37.06 6.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 28.0 m -73.79 -2.28 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.7 t -105.4 -54.62 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -92.94 24.24 3.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.591 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -70.77 140.55 51.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.59 1.181 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -128.67 19.98 6.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -125.24 153.88 42.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -111.33 -174.84 20.04 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.537 ' O ' ' CB ' ' A' ' 79' ' ' ALA . . . 126.59 39.41 0.4 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 78' ' ' GLY . . . 159.01 -53.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 0.792 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.07 159.03 12.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -77.39 -171.64 1.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.293 3.329 . . . . 0.0 109.581 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 34.2 p -140.44 -166.58 2.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.403 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.7 m -76.74 -3.86 40.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 108.293 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.464 ' CG2' ' HD2' ' A' ' 88' ' ' LYS . 8.7 mm -112.26 -43.9 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.84 -62.13 1.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.969 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.4 t -59.75 -57.66 11.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 108.31 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.411 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 8.0 m170 -46.83 -38.94 11.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.6 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.464 ' HD2' ' CG2' ' A' ' 84' ' ' ILE . 3.9 mtpp -60.01 -48.18 82.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 1.067 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -56.53 -39.76 73.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.347 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -63.73 -43.82 95.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.56 25.92 2.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.593 ' O ' ' CB ' ' A' ' 93' ' ' ASP . . . -77.26 109.0 2.7 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.593 ' CB ' ' O ' ' A' ' 92' ' ' GLY . 3.3 t70 89.0 -19.06 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 0.799 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -95.29 112.44 24.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -37.7 56.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -65.29 -37.28 86.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.257 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.536 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -78.74 -15.77 58.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -86.31 24.07 1.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -143.92 47.42 1.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -168.02 -45.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.47 ' CD1' HD13 ' A' ' 97' ' ' LEU . 13.1 mt -91.6 -31.91 15.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.4 p -122.35 5.2 9.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.383 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.72 116.27 9.11 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.479 ' SG ' ' CMB' ' A' ' 116' ' ' HEC . 1.2 m -59.72 -50.15 74.96 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -123.22 135.53 54.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.15 43.04 27.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.969 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 55.2 p -114.52 175.03 5.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.04 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.94 -7.23 44.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.36 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 99.9 m -101.86 -46.94 4.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 108.288 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -117.64 83.52 17.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.616 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -91.76 71.71 0.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.294 3.33 . . . . 0.0 109.606 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.956 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.479 ' CMD' HBD1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . 0.447 ' CMB' HBB2 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.473 ' CMC' ' CBC' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.561 ' CHA' ' O1A' ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 2' ' ' ASP . 3.9 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 1' ' ' VAL . 9.9 p-10 -37.61 127.5 1.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.442 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 0.4 OUTLIER -54.44 116.47 10.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 3' ' ' VAL . 46.1 Cg_exo -42.38 165.63 0.03 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.3 3.333 . . . . 0.0 109.568 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -82.59 150.53 26.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 5' ' ' ALA . 1.7 p-10 -53.85 -172.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.87 44.47 30.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.65 96.87 7.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.477 ' HD3' ' CG2' ' A' ' 21' ' ' THR . 0.0 OUTLIER -71.25 145.97 49.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 24' ' ' PHE . 13.0 mt -125.89 125.96 69.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -165.11 91.85 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -114.93 -27.77 7.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.1 mt -96.74 96.13 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 173.93 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -147.7 58.84 0.47 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.14 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.87 -92.39 0.2 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.62 -49.31 4.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 0.765 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -84.42 -166.47 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 173.8 129.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.499 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 35.8 mt -77.53 132.85 38.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.477 ' CG2' ' HD3' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -119.2 113.63 21.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.399 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.6 t -100.89 132.01 47.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.7 t -96.12 133.46 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.456 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 43.5 t80 -128.99 151.81 49.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 23.5 t30 -140.32 145.29 37.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.45 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 16.7 m80 -86.32 -27.5 24.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.589 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.403 ' OG ' ' OD1' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -74.03 -1.77 21.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.008 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 84.7 m -92.65 -41.21 10.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -102.54 24.33 10.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.608 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -18.74 12.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.92 3.12 55.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.459 HG11 ' CB ' ' A' ' 36' ' ' ASP . 42.6 t -114.3 132.76 62.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.409 ' O ' ' CMC' ' A' ' 113' ' ' HEC . 27.2 mttm -53.04 158.98 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.483 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 11.6 m -74.75 -42.0 59.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 108.287 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.8 p30 -67.32 -9.01 36.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.459 ' CB ' HG11 ' A' ' 32' ' ' VAL . 4.5 t0 -65.04 -18.56 65.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.404 ' HA ' ' NZ ' ' A' ' 80' ' ' LYS . 91.7 m -130.71 -49.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 108.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -76.24 77.41 3.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.579 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.541 ' O ' ' CG ' ' A' ' 39' ' ' HIS . 2.8 p80 -88.68 50.83 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.546 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.477 ' HB3' ' CD ' ' A' ' 41' ' ' PRO . 1.5 mp0 -112.66 172.94 3.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.477 ' CD ' ' HB3' ' A' ' 40' ' ' GLN . 19.2 Cg_exo -70.69 147.22 56.43 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.312 3.341 . . . . 0.0 109.612 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 43' ' ' ASP . . . -46.42 -51.74 11.71 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -38.9 -50.67 1.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 109.245 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -131.53 56.83 1.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' PRO . 15.1 tt0 -52.22 -46.48 65.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -103.49 103.27 13.22 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.829 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.78 -178.89 6.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.427 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -70.59 141.22 33.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.3 m -77.87 -30.73 50.99 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.6 p -93.02 20.62 6.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.37 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 31.9 m -66.95 156.71 35.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.4 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 1.1 m-20 -55.4 153.56 7.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.98 15.86 22.73 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.591 1.182 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 12.1 m -129.44 -136.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -89.57 46.41 1.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.546 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -81.89 65.66 7.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.3 mm -132.5 108.05 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.2 mt -98.55 74.47 2.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -167.79 153.56 7.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -115.23 57.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 173.33 58.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -117.74 174.91 5.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -133.12 81.68 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.9 p -176.38 163.63 2.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.947 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.7 p -88.46 38.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -130.54 9.14 5.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 p -76.21 134.86 39.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.013 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.533 ' O ' ' CG ' ' A' ' 68' ' ' TRP . 35.8 t-105 -95.29 17.15 14.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 107.997 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.615 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 17.9 t80 -123.08 -3.87 8.53 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.781 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 4.6 ttmt -108.83 -41.8 4.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 29.6 m -64.2 -9.5 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.8 t -100.81 -50.25 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -96.72 26.58 4.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.57 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 1.2 m-20 -83.36 121.24 26.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.29 -5.72 29.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -84.02 155.57 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -72.05 -162.79 6.01 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 79' ' ' ALA . . . 145.84 -173.12 26.3 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 78' ' ' GLY . . . -39.43 -45.86 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.404 ' NZ ' ' HA ' ' A' ' 37' ' ' CYS . 5.5 pttt -146.84 149.13 35.2 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -58.3 -172.29 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.335 3.356 . . . . 0.0 109.612 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.3 p -126.38 -166.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.394 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.4 m -79.89 -2.42 43.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 108.262 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 88' ' ' LYS . 3.9 mm -112.45 -43.08 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.96 -60.87 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 8.7 t -61.85 -57.54 11.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.331 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.566 ' CE1' HBC1 ' A' ' 116' ' ' HEC . 9.7 m170 -46.47 -34.39 4.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.598 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 84' ' ' ILE . 2.9 mmtp -66.23 -48.66 69.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -56.13 -40.7 74.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.3 mmtm -60.09 -39.1 84.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -91.89 23.87 3.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.242 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -88.01 57.6 4.31 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 168.09 -58.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 0.736 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 96' ' ' GLU . 54.5 t0 -82.91 125.97 31.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -74.35 -42.04 60.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.449 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 14.6 tt0 -64.74 -27.29 68.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.8 OUTLIER -73.89 -21.41 60.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -85.69 21.81 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -135.92 44.98 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -162.45 -48.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.489 ' O ' ' CMC' ' A' ' 116' ' ' HEC . 13.6 mt -86.78 -32.14 20.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 36.6 p -118.53 7.81 11.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -63.6 116.57 9.42 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.496 ' SG ' ' CMB' ' A' ' 116' ' ' HEC . 0.8 OUTLIER -60.27 -57.79 11.28 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -121.21 138.71 54.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.08 42.04 37.84 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.2 p -116.87 179.21 4.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.783 . . . . 0.0 110.03 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.43 -10.82 60.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 98.7 m -97.07 -47.83 5.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 108.342 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -118.47 84.04 22.74 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.606 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -92.71 70.81 0.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.283 3.322 . . . . 0.0 109.606 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.483 ' CHC' ' HA ' ' A' ' 34' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . 0.476 ' CHC' ' OE1' ' A' ' 40' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.469 ' CMC' ' CBC' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.566 HBC1 ' CE1' ' A' ' 87' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.6 t0 61.4 119.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.463 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 0.3 OUTLIER -54.46 116.41 10.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 3' ' ' VAL . 39.7 Cg_exo -42.14 165.22 0.03 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 124.293 3.328 . . . . 0.0 109.59 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.52 149.5 50.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.53 -179.17 5.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.58 39.7 78.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.147 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.57 112.61 21.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -71.1 144.84 50.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.441 ' CD1' ' HB2' ' A' ' 24' ' ' PHE . 11.2 mt -126.27 123.77 64.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -158.97 91.52 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -116.11 -26.3 7.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.8 mt -103.22 102.54 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.22 144.95 25.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 159.5 -175.97 36.32 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.75 -178.42 32.51 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -42.42 -31.38 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 110.35 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.01 -74.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 163.78 126.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.5 mt -74.75 133.66 41.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.37 120.8 34.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.537 HG22 ' C2D' ' A' ' 116' ' ' HEC . 76.0 t -101.34 149.73 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.416 HG11 ' N ' ' A' ' 24' ' ' PHE . 45.7 t -111.96 144.0 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.441 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 37.1 t80 -134.31 146.76 50.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.426 ' OD1' ' CB ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -137.3 124.26 21.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -73.31 -18.97 61.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.581 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.8 p -85.52 10.5 12.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.961 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.426 ' CB ' ' OD1' ' A' ' 25' ' ' ASN . 19.3 m -106.08 -40.1 5.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.383 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -101.98 23.35 11.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.639 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -56.6 -19.48 16.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -89.0 -0.47 57.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.476 HG13 ' CB ' ' A' ' 36' ' ' ASP . 45.1 t -111.11 131.8 61.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.304 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -51.82 157.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.423 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 10.1 m -73.92 -41.58 61.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 108.29 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.8 p30 -66.88 -9.51 38.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.476 ' CB ' HG13 ' A' ' 32' ' ' VAL . 4.5 t70 -64.87 -18.54 65.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 81.1 m -131.23 -48.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 108.277 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -78.0 87.65 4.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.609 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.468 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 3.4 p80 -101.91 44.67 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.601 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 39' ' ' HIS . 1.2 mp0 -106.54 148.56 37.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 42' ' ' GLY . 11.1 Cg_endo -53.76 147.35 41.08 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.341 3.36 . . . . 0.0 109.62 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 43' ' ' ASP . . . -45.04 171.23 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.564 1.165 . . . . 0.0 111.011 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 42' ' ' GLY . 0.9 OUTLIER 81.3 -56.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -116.13 27.9 8.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -38.9 -40.72 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -106.58 88.58 2.8 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.809 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -127.14 -175.94 3.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.424 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -72.5 143.11 33.56 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.6 m -79.03 -35.02 43.37 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 18.2 p -89.37 20.0 4.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 27.7 m -65.78 156.79 32.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.076 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.402 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 35.6 t0 -55.31 153.59 6.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.61 15.82 19.83 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 51' ' ' THR . 13.2 m -129.6 -136.62 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.407 ' O ' ' HA ' ' A' ' 50' ' ' THR . 41.1 m-70 -88.4 44.19 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.614 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -81.97 67.09 7.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.42 ' CG2' ' OD1' ' A' ' 59' ' ' ASP . 3.7 mm -133.28 108.59 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.2 mt -100.2 10.02 41.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.42 ' OD1' ' CG2' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -100.37 69.64 1.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 61' ' ' ALA . 13.3 ptmt -42.04 141.58 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 60' ' ' LYS . . . 81.37 49.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -109.59 175.68 5.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -123.4 83.86 2.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.3 p -175.98 161.57 2.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 5.4 p -88.41 38.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -134.23 10.41 3.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 p -77.98 134.1 37.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.514 ' O ' ' CG ' ' A' ' 68' ' ' TRP . 35.6 t-105 -93.11 14.09 18.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 108.022 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.63 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 8.1 t80 -120.79 -10.48 9.14 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.844 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.548 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 18.2 ttpp -98.98 -44.77 6.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.6 m -63.8 -7.88 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.5 t -104.59 -45.86 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -102.39 29.74 5.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.584 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -87.51 107.46 18.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.54 -28.44 31.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.64 146.48 51.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -67.44 -151.77 0.25 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 80' ' ' LYS . . . 144.1 -169.93 26.09 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.05 -23.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 0.769 . . . . 0.0 109.352 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 78' ' ' GLY . 6.4 ptmt -157.61 160.33 30.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -77.81 -170.17 0.9 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.332 3.355 . . . . 0.0 109.631 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.463 HG22 ' CB ' ' A' ' 74' ' ' ASP . 30.3 p -137.4 -165.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.396 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.8 m -78.56 -4.31 48.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 108.287 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 88' ' ' LYS . 3.9 mm -111.77 -43.53 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.91 -62.33 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 17.2 t -60.04 -55.84 29.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 108.332 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.422 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 7.2 m170 -47.15 -38.47 11.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.579 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 84' ' ' ILE . 8.6 mttt -60.42 -46.06 91.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -56.81 -40.65 76.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -63.29 -41.09 98.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.1 -79.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 73.24 -120.2 7.03 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -38.61 36.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 0.732 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -54.71 100.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -69.7 -32.76 71.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -66.37 -24.09 66.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.523 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -88.09 -30.81 19.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.8 ttpp -79.3 8.02 6.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -120.33 44.58 2.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 107' ' ' SER . 6.5 ptmt -166.3 -46.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.476 HD13 ' CGD' ' A' ' 115' ' ' HEC . 15.4 mt -87.72 -29.77 20.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 28.6 p -122.04 4.59 9.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.36 127.54 45.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.493 ' SG ' ' CMB' ' A' ' 116' ' ' HEC . 0.9 OUTLIER -71.7 -54.26 10.87 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -121.28 131.46 54.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.42 44.67 12.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 47.6 p -115.7 176.96 4.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 0.77 . . . . 0.0 110.037 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.27 -7.61 43.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 85.6 m -102.75 -46.22 4.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 108.31 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -117.41 83.54 16.73 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.589 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -91.67 73.61 0.71 Allowed 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.294 3.329 . . . . 0.0 109.598 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.99 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.513 ' CMA' HBA1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . 0.463 ' CMB' HBB2 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.476 ' CGD' HD13 ' A' ' 101' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.549 ' O2A' ' CHA' ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 60.1 114.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.8 OUTLIER -54.5 120.43 26.71 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 3' ' ' VAL . 41.7 Cg_exo -40.55 162.99 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.296 3.33 . . . . 0.0 109.653 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.24 152.7 22.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.302 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -56.64 -164.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' N ' ' OD2' ' A' ' 6' ' ' ASP . . . 80.97 -0.65 86.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 135.59 57.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.256 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -118.76 137.66 53.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mt -111.65 126.64 69.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -161.36 86.24 0.67 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -113.7 -26.9 8.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.7 mt -94.22 104.6 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 64.28 179.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -158.19 -142.04 3.3 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.452 ' O ' ' ND2' ' A' ' 19' ' ' ASN . . . 79.9 -150.3 32.33 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -89.07 -36.22 15.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.18 46.83 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 16' ' ' GLY . 4.5 p-10 -105.76 130.33 53.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.501 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 12.2 mt -81.2 90.06 6.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -89.97 111.69 22.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 75.0 t -96.84 125.16 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.3 t -88.49 146.64 5.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -138.87 147.82 42.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 49.5 t-20 -133.3 141.29 47.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.449 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 17.5 m80 -86.53 -20.45 27.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.601 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.79 6.93 16.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 92.0 m -103.23 -40.38 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 110.396 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -100.86 23.81 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.636 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -19.23 13.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.31 2.06 53.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.503 ' CG1' ' CG ' ' A' ' 36' ' ' ASP . 20.0 t -115.73 131.88 66.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.431 ' O ' ' CMC' ' A' ' 113' ' ' HEC . 23.2 mttm -53.49 163.39 0.64 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.474 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 9.8 m -76.46 -42.94 41.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 108.269 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.5 p30 -65.87 -9.28 27.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.503 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 4.3 t0 -65.54 -17.6 64.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.44 ' HA ' ' NZ ' ' A' ' 80' ' ' LYS . 93.9 m -132.02 -49.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.3 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -76.99 76.75 3.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.622 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.472 ' O ' ' CG ' ' A' ' 39' ' ' HIS . 3.4 p80 -88.09 43.93 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.656 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 39' ' ' HIS . 1.4 mp0 -107.77 145.98 32.46 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.47 149.0 68.99 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.323 3.349 . . . . 0.0 109.585 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 43' ' ' ASP . . . -44.49 170.09 0.01 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.467 1.104 . . . . 0.0 110.961 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 42' ' ' GLY . 1.4 m-20 81.45 -53.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.448 ' HG3' ' CB ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -120.6 32.44 5.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -46.12 -48.37 17.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -101.01 89.21 3.75 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.801 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.448 ' CB ' ' HG3' ' A' ' 44' ' ' LYS . . . -128.33 -176.46 3.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.406 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -76.95 140.11 24.41 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.6 m -74.78 -31.19 61.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.7 p -90.24 22.93 3.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 91.6 m -72.6 156.09 39.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.413 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 15.9 t0 -55.92 154.67 7.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.51 23.5 35.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.567 1.167 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 18.3 m -136.64 -130.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -95.34 50.05 1.23 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 109.568 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -87.39 65.05 8.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.17 . . . . 0.0 109.337 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.7 mm -131.21 109.72 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.8 mt -100.89 41.01 1.21 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.4 OUTLIER -139.3 104.51 5.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.22 59.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 59' ' ' ASP . . . -176.44 54.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -115.58 169.11 9.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.17 -29.68 6.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 m -63.58 160.91 15.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.011 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 5.0 p -85.97 41.66 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.236 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -126.4 12.67 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.405 ' OG ' ' CB ' ' A' ' 70' ' ' LYS . 94.7 p -75.21 133.09 41.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.517 ' O ' ' CG ' ' A' ' 68' ' ' TRP . 39.9 t-105 -96.74 16.27 19.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 108.022 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 11.7 t80 -123.92 -4.08 8.09 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.848 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.571 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 9.6 ttpp -107.83 -42.56 4.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 34.8 m -64.27 -8.36 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.0 t -102.35 -43.37 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -106.22 34.45 3.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.596 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.571 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -101.14 123.35 45.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -98.5 8.56 44.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' O ' ' OD1' ' A' ' 74' ' ' ASP . 6.9 tttp -90.99 153.48 20.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.41 -163.77 4.74 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.435 ' C ' ' N ' ' A' ' 80' ' ' LYS . . . 145.69 -174.23 25.74 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.96 -28.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 109.32 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.44 ' NZ ' ' HA ' ' A' ' 37' ' ' CYS . 4.5 ptmt -163.7 149.57 9.57 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.77 -172.09 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.31 3.34 . . . . 0.0 109.608 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 46.9 p -123.46 -165.61 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.424 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.7 m -82.85 1.9 36.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 108.298 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 88' ' ' LYS . 9.6 mm -114.7 -43.48 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 m -53.52 -61.4 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.8 t -61.69 -58.55 7.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 108.281 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.447 ' CE1' HBC1 ' A' ' 116' ' ' HEC . 7.2 m170 -45.56 -39.24 7.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.62 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 84' ' ' ILE . 9.6 mmtp -59.6 -49.58 77.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -54.39 -40.34 68.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.381 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -63.51 -44.6 93.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.02 21.23 5.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.413 ' O ' ' CB ' ' A' ' 93' ' ' ASP . . . -86.35 61.45 4.44 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.413 ' CB ' ' O ' ' A' ' 92' ' ' GLY . 1.0 OUTLIER 161.0 -56.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 0.788 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 96' ' ' GLU . 52.0 t0 -78.56 125.22 29.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 1.085 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -72.69 -40.24 66.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.444 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 7.6 tp10 -64.99 -24.82 67.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.521 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -79.61 -21.78 44.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -85.96 22.03 1.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -142.27 46.83 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 107' ' ' SER . 7.4 ptmt -167.86 -44.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.355 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.471 HD13 ' CGD' ' A' ' 115' ' ' HEC . 12.7 mt -92.02 -33.42 14.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.6 p -121.35 7.81 10.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -62.62 113.21 5.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.504 ' SG ' ' CMB' ' A' ' 116' ' ' HEC . 1.0 OUTLIER -56.25 -53.05 61.86 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -124.6 135.71 53.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.122 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.41 46.22 12.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 54.2 p -120.46 -179.32 3.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.16 -4.05 33.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 92.5 m -105.2 -48.49 3.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 108.302 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -117.75 82.84 17.02 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.629 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -92.32 69.49 0.75 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.26 3.307 . . . . 0.0 109.575 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.984 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.516 ' CMD' HBD1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . 0.418 HMC3 ' CG ' ' A' ' 40' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.474 ' CMC' ' CBC' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.541 ' O2A' ' CHA' ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.3 t0 57.21 105.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -55.97 121.2 39.13 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -39.62 161.76 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.206 0 C-N-CA 124.316 3.344 . . . . 0.0 109.601 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -88.29 154.92 20.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' ALA . 2.7 p-10 -53.63 -172.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.12 39.53 62.76 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.51 112.93 24.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -90.79 133.35 35.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.2 mt -114.12 115.69 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -151.34 93.31 1.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.454 ' CE2' ' O2D' ' A' ' 113' ' ' HEC . 23.3 m-85 -115.17 -26.73 7.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.9 mt -96.75 84.29 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.65 174.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -144.45 -102.1 0.37 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.549 1.155 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -173.28 -92.23 0.08 OUTLIER Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -48.93 -31.67 7.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -157.87 -159.11 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -171.14 125.61 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.495 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 28.0 mt -75.42 115.14 14.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -109.94 111.59 23.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.376 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.6 t -91.46 141.63 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.3 t -106.78 135.11 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.363 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -127.21 148.2 50.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -135.34 125.68 26.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -74.32 -9.65 58.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.624 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 p -93.3 15.3 15.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.959 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.8 m -113.71 -37.71 4.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.381 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -101.98 23.17 11.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.636 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -19.6 15.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -87.14 0.08 55.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.491 HG11 ' CB ' ' A' ' 36' ' ' ASP . 34.6 t -113.73 130.38 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.404 ' O ' ' CMC' ' A' ' 113' ' ' HEC . 32.9 mttm -52.09 158.94 0.99 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.473 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 10.1 m -74.42 -41.76 60.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 108.304 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -67.47 -8.96 37.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.491 ' CB ' HG11 ' A' ' 32' ' ' VAL . 4.3 t70 -65.43 -18.15 65.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 95.2 m -130.77 -48.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 108.269 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -77.37 86.28 3.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.597 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.549 ' O ' ' CG ' ' A' ' 39' ' ' HIS . 5.3 p80 -97.63 60.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.627 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.512 ' HB3' ' CD ' ' A' ' 41' ' ' PRO . 34.6 mm-40 -130.55 170.62 10.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.512 ' CD ' ' HB3' ' A' ' 40' ' ' GLN . 14.0 Cg_exo -72.99 147.62 43.73 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.304 3.336 . . . . 0.0 109.563 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 43' ' ' ASP . . . -41.17 -55.38 3.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 42' ' ' GLY . 0.3 OUTLIER -39.25 -39.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' GLN . 11.3 mmtm -126.85 37.28 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.489 ' HG2' ' CZ ' ' A' ' 46' ' ' TYR . 1.0 OUTLIER -38.24 -52.1 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.489 ' CZ ' ' HG2' ' A' ' 45' ' ' GLN . 21.2 m-85 -117.59 93.4 4.14 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.842 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -122.52 -178.45 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.411 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -77.29 139.68 23.56 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.6 m -74.66 -31.78 62.04 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.6 p -90.26 22.22 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 87.7 m -71.44 155.43 40.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.412 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -55.0 152.09 8.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.78 25.94 52.96 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.5 m -138.58 -132.76 0.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -92.97 49.69 1.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.564 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -90.69 67.0 6.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.3 mm -133.02 108.44 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 63.7 mt -101.1 26.83 6.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.09 78.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -50.75 142.31 11.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 60' ' ' LYS . . . 79.57 43.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -107.5 177.09 4.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -122.8 85.54 2.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.5 155.12 1.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.996 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 p -80.76 3.79 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.107 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -97.37 9.57 41.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 p -75.68 134.08 40.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.538 ' O ' ' CG ' ' A' ' 68' ' ' TRP . 29.0 t-105 -96.42 14.88 22.96 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.642 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 13.4 t80 -119.84 -7.32 10.01 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.828 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.571 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 11.4 ttmm -101.16 -43.74 5.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 26.4 m -64.75 -9.09 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.3 t -100.83 -57.25 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -91.62 24.4 3.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.558 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.571 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -71.89 124.12 24.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.94 9.11 17.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -145.43 83.22 1.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.259 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.47 150.86 17.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -119.75 -72.62 0.36 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.47 -42.71 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.417 ' HZ1' ' CD2' ' A' ' 39' ' ' HIS . 7.4 ptmt -157.49 160.73 30.14 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.4 ' O ' HG21 ' A' ' 82' ' ' THR . 55.4 Cg_endo -80.48 -171.24 1.19 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.28 3.32 . . . . 0.0 109.607 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.4 HG21 ' O ' ' A' ' 81' ' ' PRO . 25.4 p -138.77 -165.0 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.41 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m -77.5 -5.68 50.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 108.346 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 88' ' ' LYS . 9.4 mm -110.14 -44.01 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.69 -60.57 3.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.969 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.4 t -60.23 -58.0 10.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.272 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -47.1 -38.14 10.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.585 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -61.32 -47.88 83.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -55.49 -40.16 71.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -62.99 -41.22 99.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.99 21.7 5.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.401 ' C ' ' OD1' ' A' ' 93' ' ' ASP . . . -85.35 57.97 4.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' A' ' 92' ' ' GLY . 2.4 p-10 164.84 -57.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 96' ' ' GLU . 57.5 t0 -79.16 121.43 25.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -70.98 -38.28 72.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.446 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 29.3 mt-10 -66.13 -27.36 67.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -76.23 -19.98 57.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -86.37 23.8 1.51 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -142.92 47.76 1.52 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 107' ' ' SER . 7.1 ptmt -167.91 -45.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.465 ' CD1' HD13 ' A' ' 97' ' ' LEU . 19.3 mt -90.52 -30.7 17.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.8 p -122.35 0.87 9.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.368 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.56 119.72 17.76 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.507 ' SG ' ' CMB' ' A' ' 116' ' ' HEC . 1.3 m -62.52 -49.67 74.42 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.95 137.36 54.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.25 40.43 49.49 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 35.4 p -110.92 176.19 5.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.4 -5.12 37.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 93.5 m -103.88 -46.17 4.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 108.303 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -117.44 83.76 17.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.591 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -90.99 72.16 1.01 Allowed 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.276 3.317 . . . . 0.0 109.614 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 110.016 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.558 ' CMA' HBA2 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.459 ' CMC' ' CBC' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.555 ' CHA' ' O1A' ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 t70 175.97 72.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.553 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 0.4 OUTLIER -53.21 108.81 1.2 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -51.73 162.82 1.49 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.308 3.339 . . . . 0.0 109.592 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.43 151.03 24.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -52.48 -175.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.29 0.78 87.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.16 138.19 58.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -121.13 136.63 54.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.7 mt -111.19 131.16 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -165.07 92.78 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -115.54 -27.34 7.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.8 mt -96.58 100.9 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.43 99.63 4.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.92 -170.4 30.8 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . 77.18 175.95 43.39 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' GLY . 4.7 mm-40 -38.5 -49.44 1.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 0.74 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.12 -57.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.373 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.7 p30 170.23 114.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.489 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 14.5 mt -74.97 111.73 10.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -108.81 112.15 24.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.455 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.1 t -93.93 130.9 42.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.3 t -94.63 130.59 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.47 ' CE1' ' CE1' ' A' ' 29' ' ' HIS . 35.6 t80 -126.0 143.5 51.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -127.71 126.97 42.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.414 ' HB3' ' CG2' ' A' ' 3' ' ' VAL . 5.6 m80 -74.34 -19.25 60.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.576 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.0 p -86.95 14.12 7.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 92.7 m -110.06 -33.72 6.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.47 ' CE1' ' CE1' ' A' ' 24' ' ' PHE . 56.6 m80 -105.35 22.21 15.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.572 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -19.04 14.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.3 -2.01 57.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.505 ' CG1' ' CG ' ' A' ' 36' ' ' ASP . 12.0 t -114.02 134.94 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' O ' ' CMC' ' A' ' 113' ' ' HEC . 38.1 mttt -55.52 161.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.487 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 8.9 m -75.41 -41.66 55.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 108.256 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -67.05 -8.64 31.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.505 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 2.2 t70 -64.72 -18.94 65.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 72.3 m -131.39 -49.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 108.309 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.404 ' HB3' ' O ' ' A' ' 45' ' ' GLN . 98.0 m-70 -73.4 70.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.554 ' O ' ' CG ' ' A' ' 39' ' ' HIS . 1.9 p80 -85.27 49.33 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.591 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 39' ' ' HIS . 1.4 mp0 -108.16 130.03 23.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -86.33 155.01 9.4 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.317 3.345 . . . . 0.0 109.576 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' C ' ' N ' ' A' ' 44' ' ' LYS . . . 82.98 163.89 34.84 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.37 -27.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.452 ' HG2' ' CB ' ' A' ' 47' ' ' ALA . 2.8 tttt -85.12 48.9 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.238 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.404 ' O ' ' HB3' ' A' ' 38' ' ' HIS . 37.8 tt0 -75.82 -18.03 59.62 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 110.248 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -119.14 67.42 0.79 Allowed 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.855 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.452 ' CB ' ' HG2' ' A' ' 44' ' ' LYS . . . -112.15 -176.22 2.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.433 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -73.63 149.49 41.81 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.3 m -79.78 -30.44 40.65 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.3 p -89.81 21.45 3.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.368 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 27.9 m -70.04 156.35 39.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.341 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 8.7 m-20 -56.62 154.4 8.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.22 19.98 26.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 17.4 m -132.74 -131.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -94.58 48.44 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.616 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -85.16 65.94 9.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.0 mm -133.06 119.04 35.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.8 mt -111.59 8.58 20.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -97.66 70.27 2.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.581 ' HG3' ' CD2' ' A' ' 69' ' ' TYR . 0.8 OUTLIER -39.24 150.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 68.53 45.65 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -103.63 177.98 4.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.11 84.6 2.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.92 161.44 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.989 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.0 p -85.57 11.87 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -106.85 9.21 30.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.1 p -75.48 135.48 40.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.524 ' O ' ' CG ' ' A' ' 68' ' ' TRP . 33.2 t-105 -95.58 14.3 23.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 108.012 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.645 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 5.2 t80 -119.88 -9.91 9.6 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.857 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.589 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 16.1 ttpp -98.44 -45.06 6.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 29.3 m -63.03 -8.89 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 83.9 t -105.31 -42.12 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -107.14 34.32 3.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.629 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.589 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -97.27 127.87 43.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -111.68 26.15 10.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -118.55 153.1 34.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -115.11 -172.82 17.46 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.532 ' O ' ' CB ' ' A' ' 79' ' ' ALA . . . 123.87 38.45 0.53 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 78' ' ' GLY . . . 159.77 -52.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.423 ' NZ ' ' CB ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -163.41 159.83 17.98 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -80.26 -169.89 0.89 Allowed 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.355 3.37 . . . . 0.0 109.553 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.8 p -138.83 -166.54 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.444 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.5 m -77.72 -4.77 47.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 108.304 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 88' ' ' LYS . 3.2 mm -111.53 -43.66 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.82 -62.43 1.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.975 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 17.7 t -60.21 -56.33 22.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 108.315 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.417 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 8.8 m170 -46.49 -38.5 9.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.592 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 84' ' ' ILE . 10.8 mtpt -60.06 -46.27 90.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -56.85 -40.89 76.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -62.02 -40.07 94.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.49 22.11 4.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -85.27 62.95 4.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 163.88 -58.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 96' ' ' GLU . 53.7 t0 -84.29 124.97 31.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.65 -41.74 62.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.454 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 15.0 tt0 -64.78 -27.92 69.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -72.89 -21.34 60.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -85.3 16.55 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.08 44.35 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.402 ' HD2' ' CD2' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -163.33 -47.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.417 ' HB3' ' ND1' ' A' ' 87' ' ' HIS . 11.0 mt -88.24 -31.02 19.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.9 p -121.75 8.66 10.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.437 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.57 129.07 33.31 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.495 ' SG ' ' CMB' ' A' ' 116' ' ' HEC . 0.8 OUTLIER -69.96 -57.3 5.18 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -120.39 139.21 53.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.26 39.22 52.67 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 59.9 p -112.64 179.87 3.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 0.795 . . . . 0.0 110.061 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.44 -2.76 30.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 86.5 m -105.66 -47.99 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 108.303 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -118.09 82.74 18.24 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -92.35 70.27 0.71 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.306 3.337 . . . . 0.0 109.638 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.487 ' CHC' ' HA ' ' A' ' 34' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . 0.458 ' C1C' ' CD ' ' A' ' 40' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.474 ' CMC' ' CBC' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.546 ' CHA' ' O1A' ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.6 p . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' A' ' 1' ' ' VAL . 0.7 OUTLIER 56.96 112.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -54.49 121.12 30.75 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 3' ' ' VAL . 34.9 Cg_exo -40.22 162.7 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.288 3.325 . . . . 0.0 109.602 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -86.79 153.18 21.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 5' ' ' ALA . 0.8 OUTLIER -55.42 -167.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.74 33.81 71.63 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.441 1.088 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.13 137.12 32.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -117.63 135.5 53.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.1 mt -113.36 124.72 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -156.65 90.1 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -115.41 -25.15 8.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 71.9 mt -100.06 86.43 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.77 174.63 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -140.62 -60.32 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 153.77 -81.29 0.18 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -64.52 -47.42 78.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -140.3 -160.19 1.04 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -169.51 132.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.49 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 33.5 mt -74.74 94.27 2.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -89.65 111.64 22.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.358 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.0 t -91.9 137.71 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.8 t -103.35 134.43 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.075 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.458 ' CE1' ' CE1' ' A' ' 29' ' ' HIS . 28.9 t80 -124.07 169.2 11.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.046 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -151.81 125.4 8.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -76.78 -17.26 59.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.592 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.2 p -88.26 15.81 7.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.3 m -114.27 -32.13 6.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.401 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.458 ' CE1' ' CE1' ' A' ' 24' ' ' PHE . 51.3 m80 -107.01 22.34 16.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.607 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.55 -18.69 12.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.75 -2.63 58.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.477 ' CG1' ' CG ' ' A' ' 36' ' ' ASP . 21.6 t -112.47 129.18 68.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -51.11 159.83 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.453 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 10.7 m -74.32 -40.8 61.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 108.356 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -68.46 -8.17 38.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.477 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 4.6 t70 -66.1 -18.09 65.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 87.2 m -131.5 -48.88 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 108.333 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -76.6 79.24 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.618 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.47 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 4.3 p80 -91.31 43.73 1.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.582 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 39' ' ' HIS . 1.4 mp0 -107.97 149.44 39.09 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 42' ' ' GLY . 10.7 Cg_endo -53.33 152.66 19.27 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.337 3.358 . . . . 0.0 109.576 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 41' ' ' PRO . . . -48.63 179.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 71.68 -64.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 45' ' ' GLN . 5.0 ptpt -105.82 23.26 14.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 44' ' ' LYS . 5.5 tt0 -38.09 -38.03 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -106.26 83.37 1.88 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.818 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -120.44 -177.06 3.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.431 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -74.91 143.97 31.76 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.2 m -78.88 -32.03 45.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.2 p -90.79 20.21 4.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 26.9 m -67.38 155.83 37.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.4 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.6 OUTLIER -55.75 154.43 6.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.44 16.13 19.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.1 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 51' ' ' THR . 13.7 m -130.07 -134.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -90.97 45.52 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.579 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -85.98 67.8 10.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.4 mm -132.74 109.26 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 81.2 mt -102.77 61.89 0.81 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' ALA . 1.2 t0 -152.81 101.08 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -69.45 59.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' ASP . . . 170.77 59.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -120.31 177.38 5.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -135.81 83.61 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.0 p -176.31 164.95 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 4.5 p -88.53 39.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -132.71 9.13 4.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.74 134.39 38.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.03 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.532 ' O ' ' CG ' ' A' ' 68' ' ' TRP . 33.2 t-105 -93.52 15.78 15.2 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.612 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 14.5 t80 -122.23 -2.99 9.01 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.822 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 5.4 ttmt -107.39 -42.77 4.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.3 m -64.43 -8.25 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.6 t -102.17 -53.75 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -94.24 25.32 3.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 109.598 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.7 OUTLIER -77.16 99.18 5.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.47 0.92 47.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -100.64 140.15 35.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.04 -157.71 0.04 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.419 ' C ' ' N ' ' A' ' 80' ' ' LYS . . . 145.52 -171.13 26.66 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.35 -25.39 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 0.776 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' A' ' 78' ' ' GLY . 6.7 ptmt -156.5 159.96 31.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -77.32 -169.93 0.84 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.33 3.354 . . . . 0.0 109.59 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.1 p -137.51 -165.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.386 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.3 m -77.69 -6.62 54.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 0.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.42 ' O ' ' HB2' ' A' ' 88' ' ' LYS . 2.8 mm -109.99 -45.03 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.37 -61.8 2.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.04 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.9 t -58.58 -55.63 32.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 108.319 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.434 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 10.0 m170 -47.31 -33.91 6.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.59 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.473 ' HE3' ' CB ' ' A' ' 102' ' ' THR . 0.0 OUTLIER -61.85 -46.37 89.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -55.53 -41.11 72.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.465 ' HE2' ' CMD' ' A' ' 115' ' ' HEC . 20.1 mmtm -64.35 -40.06 95.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -94.75 25.56 4.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.594 ' O ' ' CB ' ' A' ' 93' ' ' ASP . . . -77.93 108.65 2.66 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.594 ' CB ' ' O ' ' A' ' 92' ' ' GLY . 10.1 t0 89.27 -19.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.276 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -95.19 113.64 25.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.22 -35.49 55.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -68.01 -44.29 76.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.54 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -68.98 -16.45 63.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -86.19 24.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -142.08 47.4 1.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.349 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -167.38 -47.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 97' ' ' LEU . 15.3 mt -88.76 -32.59 17.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.473 ' CB ' ' HE3' ' A' ' 88' ' ' LYS . 23.9 p -121.61 13.59 10.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.436 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -70.56 130.93 21.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.513 ' SG ' ' CMB' ' A' ' 116' ' ' HEC . 1.2 m -74.1 -52.48 12.48 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.74 ' HD2' ' OXT' ' A' ' 112' ' ' SER . 1.4 tppp? -118.71 130.71 55.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.03 44.16 19.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 66.2 p -112.29 172.97 6.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.774 . . . . 0.0 110.011 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.76 -7.38 39.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 84.7 m -102.95 -45.81 4.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 108.315 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -117.01 83.88 15.46 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.567 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -91.43 71.55 0.93 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.321 3.347 . . . . 0.0 109.581 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.74 ' OXT' ' HD2' ' A' ' 105' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.956 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.474 ' CMD' HBD1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.472 ' CMC' ' CBC' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.56 ' CHA' ' O1A' ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.413 ' H1 ' ' H ' ' A' ' 2' ' ' ASP . 1.5 p . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.413 ' H ' ' H1 ' ' A' ' 1' ' ' VAL . 0.4 OUTLIER 60.87 113.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -54.8 119.83 24.32 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 3' ' ' VAL . 41.4 Cg_exo -41.12 163.61 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.367 3.378 . . . . 0.0 109.568 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.19 150.27 24.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.78 -164.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.66 27.83 73.56 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.54 138.54 36.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 0.798 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HD3' ' CG2' ' A' ' 23' ' ' VAL . 12.4 mmtm -114.85 133.74 55.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.5 mt -115.46 125.69 72.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -160.94 90.51 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -115.16 -26.1 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.3 mt -97.28 98.13 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.247 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.56 168.49 4.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -151.43 -157.67 7.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.33 79.3 0.92 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 72.82 -52.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 110.313 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -76.93 -165.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.434 ' N ' HD21 ' A' ' 19' ' ' ASN . 0.1 OUTLIER 178.32 131.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.483 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 19.8 mt -74.81 90.84 2.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.88 113.88 20.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.2 t -98.86 146.28 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.454 ' CG2' ' HD3' ' A' ' 9' ' ' LYS . 84.5 t -107.9 148.82 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -142.95 132.17 23.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -114.13 124.24 51.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -73.89 -17.14 61.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.576 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.4 p -88.9 13.97 11.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.8 m -111.09 -35.87 5.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.375 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -101.96 23.75 11.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.641 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -56.2 -21.7 24.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.96 -1.54 56.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.8 t -112.27 126.12 69.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -50.26 158.02 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.439 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 9.9 m -73.08 -41.13 64.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 108.286 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -67.99 -8.71 39.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -65.93 -18.49 65.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 97.8 m -130.77 -48.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 108.344 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -77.37 81.23 3.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.58 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.512 ' O ' ' CG ' ' A' ' 39' ' ' HIS . 2.6 p80 -95.74 48.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.585 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.476 ' CG ' HMC1 ' A' ' 114' ' ' HEC . 1.4 mp0 -108.04 136.93 19.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -85.71 154.35 10.23 Favored 'Trans proline' 0 N--CA 1.446 -1.266 0 C-N-CA 124.333 3.355 . . . . 0.0 109.619 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.92 168.28 40.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.65 -19.39 26.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 0.734 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.14 44.8 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.473 ' OE1' ' CZ ' ' A' ' 46' ' ' TYR . 3.5 tt0 -53.17 -28.27 25.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.473 ' CZ ' ' OE1' ' A' ' 45' ' ' GLN . 14.6 m-85 -108.62 102.54 11.6 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.837 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.79 178.57 7.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.402 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -70.52 137.92 28.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.104 . . . . 0.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.8 m -74.98 -28.64 60.64 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.5 p -92.29 23.51 3.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.381 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 91.1 m -73.1 155.56 39.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.435 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -54.92 153.68 6.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.11 25.35 46.57 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.7 m -138.8 -132.38 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -94.02 50.86 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.585 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -90.17 64.45 6.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.4 ' CG1' ' O ' ' A' ' 66' ' ' ASN . 3.3 mm -133.13 109.47 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.9 mt -101.21 73.09 1.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -158.77 121.77 3.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm -86.76 47.04 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 178.49 58.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -117.39 177.59 4.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -134.76 84.93 2.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.53 161.58 2.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.97 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.4 p -83.91 8.19 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.4 ' O ' ' CG1' ' A' ' 57' ' ' ILE . 28.7 m120 -102.37 13.05 35.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.4 p -78.32 132.62 37.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.526 ' O ' ' CG ' ' A' ' 68' ' ' TRP . 32.8 t-105 -95.19 14.78 21.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 107.973 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.606 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 10.8 t80 -121.67 -2.73 9.33 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.78 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 19.0 ttpp -106.29 -42.39 5.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.0 m -66.35 -6.42 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.444 HG13 ' CE1' ' A' ' 73' ' ' HIS . 75.2 t -103.78 -44.89 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.444 ' CE1' HG13 ' A' ' 72' ' ' VAL . 28.1 m80 -107.93 35.21 3.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.615 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -89.37 92.9 9.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.22 -29.83 70.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -69.89 152.75 44.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -72.96 -151.32 1.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.421 ' C ' ' N ' ' A' ' 80' ' ' LYS . . . 144.46 -172.58 25.42 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.28 -27.62 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.421 ' N ' ' C ' ' A' ' 78' ' ' GLY . 3.5 ptmt -154.82 162.24 27.6 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -88.42 145.7 6.0 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.283 3.322 . . . . 0.0 109.629 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.6 p -91.05 -157.86 0.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.423 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 87' ' ' HIS . 3.9 m -75.37 -53.67 8.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 108.324 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.483 ' O ' ' CG ' ' A' ' 88' ' ' LYS . 0.8 OUTLIER -64.08 -38.25 81.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -53.49 -61.43 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.017 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 10.4 t -64.11 -59.27 4.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 108.315 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.453 ' HB2' ' O ' ' A' ' 83' ' ' CYS . 12.7 m170 -43.94 -38.42 3.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.572 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 84' ' ' ILE . 3.7 mmtm -59.24 -50.53 73.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -57.72 -39.94 78.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -59.67 -40.67 88.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -93.62 22.22 5.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -88.17 61.71 3.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 164.62 -57.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.446 0.733 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.439 ' HB3' ' CB ' ' A' ' 97' ' ' LEU . 56.2 t0 -84.34 126.01 32.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -74.13 -42.04 60.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.434 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 6.8 tp10 -64.82 -26.9 68.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.53 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.8 OUTLIER -73.83 -22.76 59.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -85.48 22.69 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -132.95 50.45 2.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 107' ' ' SER . 10.5 ptpt -173.04 -41.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.52 ' O ' ' CMC' ' A' ' 116' ' ' HEC . 8.2 mt -92.23 -32.32 15.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.468 ' O ' ' C ' ' A' ' 103' ' ' GLY . 6.1 p -133.14 9.81 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.424 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 104' ' ' CYS . . . -31.46 -54.36 0.32 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.5 OUTLIER 89.7 -41.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -132.66 96.87 3.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 89.03 46.35 4.5 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 54.5 p -104.65 -170.58 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 110.001 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.06 2.11 25.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.339 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.415 ' O ' ' HD3' ' A' ' 111' ' ' PRO . 93.2 m -112.92 -49.66 2.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 108.274 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -116.93 84.45 16.04 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.578 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 43.4 Cg_endo -92.33 64.09 0.8 Allowed 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.376 3.384 . . . . 0.0 109.578 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.0 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.477 HBD2 ' CMD' ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . 0.476 HMC1 ' CG ' ' A' ' 40' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.469 ' CMC' ' CBC' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.546 ' O2A' ' CHA' ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.427 HG11 ' H2 ' ' A' ' 1' ' ' VAL . 1.7 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 173.59 90.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.496 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 0.4 OUTLIER -62.01 113.95 10.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.549 ' HD2' ' CD2' ' A' ' 26' ' ' HIS . 39.5 Cg_exo -42.63 164.38 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.363 3.376 . . . . 0.0 109.628 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.71 149.41 22.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 7' ' ' GLY . 1.7 t70 -55.81 168.31 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' N ' ' CG ' ' A' ' 6' ' ' ASP . . . 73.66 46.67 23.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.06 115.15 28.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 0.9 OUTLIER -89.29 136.84 32.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.9 mt -119.01 123.41 71.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -158.24 95.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -117.73 -27.95 6.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.0 mt -100.57 101.76 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.55 134.01 33.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 170.73 -165.53 38.75 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.541 1.151 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 59.06 -167.74 7.02 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.33 -49.06 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' A' ' 19' ' ' ASN . 6.4 pttp -144.03 -59.54 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER 161.75 124.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.248 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.465 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 59.3 mt -74.79 133.48 41.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.225 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -121.95 111.84 17.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.389 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.81 138.09 20.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.1 t -102.85 126.66 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.57 ' CE1' ' CE1' ' A' ' 29' ' ' HIS . 17.5 t80 -119.5 178.94 4.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -168.95 126.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.549 ' CD2' ' HD2' ' A' ' 4' ' ' PRO . 10.8 m80 -74.39 -15.59 60.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.57 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.01 10.4 14.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.3 m -110.33 -31.2 7.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.38 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.57 ' CE1' ' CE1' ' A' ' 24' ' ' PHE . 40.5 m80 -110.2 20.39 17.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.636 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -18.38 14.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -86.68 -2.64 58.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.464 HG11 ' CB ' ' A' ' 36' ' ' ASP . 15.0 t -109.42 133.31 55.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.43 ' O ' ' CMC' ' A' ' 113' ' ' HEC . 10.8 mttt -53.56 159.96 1.39 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.465 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 5.3 m -75.38 -40.3 58.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 108.323 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.3 p30 -66.54 -9.87 39.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.464 ' CB ' HG11 ' A' ' 32' ' ' VAL . 4.2 t70 -64.6 -18.61 65.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.5 m -134.93 -48.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 108.323 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -74.06 73.39 1.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.611 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.452 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 3.6 p80 -88.51 43.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.633 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 39' ' ' HIS . 1.4 mp0 -107.61 146.0 32.46 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.249 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 42' ' ' GLY . 22.2 Cg_endo -59.21 156.12 36.6 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.313 3.342 . . . . 0.0 109.595 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 41' ' ' PRO . . . -45.92 173.54 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 42' ' ' GLY . 1.1 m-20 71.53 -61.63 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.776 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -112.48 25.98 10.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -57.23 -22.16 39.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -121.29 67.7 0.88 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.859 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -114.59 -177.18 3.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.431 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -70.28 150.08 48.12 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.1 m -81.19 -30.62 34.26 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.2 p -89.42 20.15 4.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 24.3 m -67.96 155.87 38.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.412 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.4 OUTLIER -56.32 154.01 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.8 18.86 26.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 16.2 m -131.67 -132.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -93.43 47.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.579 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -87.37 63.9 7.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.491 ' CG2' ' OD1' ' A' ' 59' ' ' ASP . 3.2 mm -131.56 108.52 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 67.3 mt -99.24 9.58 43.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.491 ' OD1' ' CG2' ' A' ' 57' ' ' ILE . 0.5 OUTLIER -99.28 69.69 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 61' ' ' ALA . 0.5 OUTLIER -42.21 142.18 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 60' ' ' LYS . . . 80.29 47.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.351 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -106.48 174.79 5.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.97 82.81 2.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -176.15 161.64 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 5.8 p -88.8 38.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -133.41 9.88 4.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.74 134.83 37.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.519 ' O ' ' CG ' ' A' ' 68' ' ' TRP . 32.5 t-105 -91.81 13.33 18.64 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.626 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 10.4 t80 -119.42 -9.2 9.92 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.823 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 5.3 ttmt -100.16 -44.73 5.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.7 m -64.39 -7.99 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.3 t -102.9 -52.05 8.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -96.04 25.66 4.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.615 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.558 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -78.31 109.57 12.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.77 -6.54 57.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -86.04 153.45 22.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.92 169.41 18.86 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.522 1.138 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.27 -82.39 0.13 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.82 -47.76 28.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -157.67 159.49 30.58 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -77.01 -172.39 1.42 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.303 3.335 . . . . 0.0 109.588 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.0 p -137.14 -165.78 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.7 m -77.82 -2.57 37.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 108.306 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 88' ' ' LYS . 3.4 mm -113.7 -44.34 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.58 -61.73 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.033 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 8.2 t -58.9 -57.33 13.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 108.268 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.429 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 9.0 m170 -46.62 -39.28 10.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.604 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' ILE . 1.3 mmtt -60.51 -46.04 91.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -58.06 -41.19 82.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.457 ' HE2' ' CMD' ' A' ' 115' ' ' HEC . 19.0 mmtm -61.16 -36.39 79.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -98.65 22.56 9.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -86.66 56.25 4.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 165.69 -57.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 109.257 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 96' ' ' GLU . 58.2 t0 -78.35 122.32 25.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.23 -39.46 68.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.427 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 31.1 mt-10 -66.24 -28.59 68.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.306 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.516 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -74.06 -21.17 60.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.23 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -85.77 23.2 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -138.6 47.37 1.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 107' ' ' SER . 6.2 ptmt -167.32 -42.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.5 ' O ' ' CMC' ' A' ' 116' ' ' HEC . 12.3 mt -91.65 -33.9 14.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 103' ' ' GLY . 19.3 p -127.88 8.48 6.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.372 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.547 ' O ' ' CB ' ' A' ' 104' ' ' CYS . . . -33.06 -57.67 0.5 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.547 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 1.7 t 92.51 -39.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.28 105.49 7.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.63 44.01 13.71 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 40.0 p -102.28 -172.17 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.794 . . . . 0.0 110.044 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -78.46 0.25 26.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 88.2 m -108.68 -48.68 3.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 108.252 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -118.04 83.97 20.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.648 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -92.71 68.1 0.64 Allowed 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.304 3.336 . . . . 0.0 109.589 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.952 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.496 ' CMA' ' CBA' ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.462 HMC3 ' CBC' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.547 ' O2A' ' CHA' ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.7 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 1' ' ' VAL . 0.4 OUTLIER 57.63 111.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -54.91 121.32 34.42 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' VAL . 41.2 Cg_exo -40.86 163.88 0.02 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.368 3.379 . . . . 0.0 109.57 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.57 152.39 22.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -56.23 -165.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.37 28.56 72.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.34 136.03 33.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 0.758 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -117.07 136.34 53.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.5 mt -112.77 125.47 70.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -159.78 91.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -115.2 -27.04 7.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.3 mt -97.08 102.55 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 72.44 179.95 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.408 ' C ' ' OD1' ' A' ' 19' ' ' ASN . . . -168.98 -140.93 3.06 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.151 . . . . 0.0 110.948 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.71 -130.51 10.25 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -114.1 -31.7 6.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 110.252 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.17 46.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -105.17 134.76 47.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.489 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 14.2 mt -74.17 104.33 4.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 m -102.91 113.0 26.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.404 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.6 t -93.97 129.67 43.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.6 t -95.03 143.67 11.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -133.1 147.77 52.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -132.26 124.02 28.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.355 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -74.74 -17.54 60.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.616 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.0 p -88.04 13.95 10.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.4 m -110.8 -35.67 5.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.413 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.2 m80 -102.42 23.61 11.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.6 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -19.04 13.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -88.08 0.99 55.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.493 HG11 ' CB ' ' A' ' 36' ' ' ASP . 43.1 t -115.73 131.39 68.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.418 ' O ' ' CMC' ' A' ' 113' ' ' HEC . 6.5 mmtm -53.59 159.66 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.474 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 10.4 m -74.54 -42.15 59.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 108.256 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.9 p30 -67.04 -9.28 37.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.493 ' CB ' HG11 ' A' ' 32' ' ' VAL . 4.5 t70 -65.11 -18.66 65.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 91.7 m -130.07 -48.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 108.268 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -76.62 78.25 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.569 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.494 ' O ' ' CG ' ' A' ' 39' ' ' HIS . 3.1 p80 -90.41 48.13 1.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.607 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.489 ' HB3' ' CD ' ' A' ' 41' ' ' PRO . 1.5 mp0 -109.2 171.09 4.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.489 ' CD ' ' HB3' ' A' ' 40' ' ' GLN . 12.0 Cg_exo -73.32 146.23 39.82 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.341 3.361 . . . . 0.0 109.601 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' ASP . . . -40.58 -46.28 3.65 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLY . 0.9 OUTLIER -39.56 -53.22 2.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.272 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.416 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -118.35 51.42 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.477 ' HG2' ' CE2' ' A' ' 46' ' ' TYR . 13.4 tp60 -38.1 -37.47 0.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.262 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.477 ' CE2' ' HG2' ' A' ' 45' ' ' GLN . 41.8 m-85 -130.32 88.37 2.63 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.804 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.416 ' CB ' ' HB2' ' A' ' 44' ' ' LYS . . . -118.82 179.36 4.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.427 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -74.58 146.71 36.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.9 m -79.9 -32.07 40.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.6 p -89.11 19.62 4.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 27.9 m -67.21 156.27 36.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.403 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.9 OUTLIER -56.45 153.53 9.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.42 17.41 25.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 14.9 m -130.13 -133.44 0.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -91.82 47.28 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.591 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -85.12 65.56 9.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.7 mm -132.63 109.01 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 26.4 mt -102.76 21.94 14.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.17 76.41 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.564 ' HD2' ' CE2' ' A' ' 69' ' ' TYR . 4.9 ttpm? -45.56 154.53 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.404 ' N ' ' HG2' ' A' ' 60' ' ' LYS . . . 68.35 43.06 1.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -103.81 176.55 5.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.68 84.55 2.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.24 158.78 2.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.95 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.6 p -82.55 6.45 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -101.06 9.25 42.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.5 p -74.21 134.72 42.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.956 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.54 ' O ' ' CG ' ' A' ' 68' ' ' TRP . 29.0 t-105 -97.37 15.45 22.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.019 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.653 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 7.8 t80 -121.36 -9.16 9.09 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.817 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.557 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 3.6 ttmm -100.0 -44.22 6.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.7 m -63.46 -9.7 5.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.4 t -99.36 -56.5 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -91.69 24.15 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.586 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.8 OUTLIER -76.33 130.68 38.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.73 -1.01 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.465 ' CA ' ' HE2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -93.54 172.96 7.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.04 -177.08 14.72 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.541 ' O ' ' CB ' ' A' ' 79' ' ' ALA . . . 128.72 41.07 0.27 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 78' ' ' GLY . . . 160.05 -53.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 0.739 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -163.86 159.14 17.01 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -77.45 -172.29 1.41 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.28 3.32 . . . . 0.0 109.621 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.0 p -137.48 -165.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.9 m -77.53 -5.42 50.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 108.341 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 88' ' ' LYS . 8.7 mm -110.0 -43.71 5.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.85 -62.0 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.6 t -59.2 -58.06 10.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 108.28 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.438 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 11.6 m170 -47.09 -39.21 12.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.658 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 84' ' ' ILE . 10.0 mmtm -59.95 -48.27 82.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -56.08 -40.33 73.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -62.22 -43.09 99.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -93.09 27.15 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.592 ' O ' ' CB ' ' A' ' 93' ' ' ASP . . . -76.09 109.06 2.69 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.592 ' CB ' ' O ' ' A' ' 92' ' ' GLY . 2.3 t70 89.09 -19.54 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 0.795 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -95.21 109.06 21.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -74.05 -34.97 64.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -67.38 -41.6 84.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.546 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -72.57 -13.87 61.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -86.03 23.98 1.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -142.76 49.89 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.464 ' HD2' ' CD2' ' A' ' 97' ' ' LEU . 4.2 ptpp? -168.71 -45.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 97' ' ' LEU . 12.8 mt -95.36 -27.39 15.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.1 p -126.49 5.68 6.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.415 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.4 ' O ' ' OG ' ' A' ' 107' ' ' SER . . . -64.58 113.63 6.05 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.509 ' SG ' ' CMB' ' A' ' 116' ' ' HEC . 1.1 m -54.92 -53.38 56.26 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.3 137.85 54.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.92 42.41 30.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.13 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 103' ' ' GLY . 74.7 p -115.91 177.53 4.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.751 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.98 -4.09 33.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 87.5 m -104.72 -47.38 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 108.32 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -117.59 83.43 17.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.626 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -92.02 71.05 0.78 Allowed 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.273 3.315 . . . . 0.0 109.578 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.596 ' CGD' ' CMD' ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . 0.447 ' CHC' ' OE1' ' A' ' 40' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.476 ' CMC' ' CBC' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.542 ' CHA' ' O1A' ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 t70 60.19 107.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -54.5 120.25 25.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -40.73 162.99 0.03 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.323 3.349 . . . . 0.0 109.579 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -92.76 163.8 13.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -57.6 -158.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' N ' ' OD2' ' A' ' 6' ' ' ASP . . . 66.09 21.52 69.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.46 106.39 16.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 0.74 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -93.48 131.99 38.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.422 HG23 ' CGD' ' A' ' 116' ' ' HEC . 6.7 mt -109.95 120.56 61.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -154.01 89.2 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -116.67 -26.79 6.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.8 mt -95.16 103.94 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 75.4 -177.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.402 ' HA3' ' HB3' ' A' ' 19' ' ' ASN . . . 165.23 120.5 0.52 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.44 1.088 . . . . 0.0 110.986 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.62 65.51 0.02 OUTLIER Glycine 0 CA--C 1.531 1.031 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 71.38 -54.08 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.763 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -85.61 50.14 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.402 ' HB3' ' HA3' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -103.42 131.61 50.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 109.343 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.472 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 13.4 mt -80.74 75.26 7.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.35 113.48 11.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 110.422 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.3 t -99.22 131.34 46.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.244 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.418 HG11 ' N ' ' A' ' 24' ' ' PHE . 34.3 t -94.91 147.07 6.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.418 ' N ' HG11 ' A' ' 23' ' ' VAL . 93.9 t80 -141.22 150.31 42.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.51 126.89 32.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.403 ' CE1' ' HE2' ' A' ' 24' ' ' PHE . 12.9 m80 -73.44 -14.54 61.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.625 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.6 p -88.43 11.56 16.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 91.4 m -109.22 -34.11 6.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -105.64 23.19 14.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.644 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -20.17 20.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.33 -1.99 58.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.482 HG11 ' CB ' ' A' ' 36' ' ' ASP . 41.9 t -111.22 129.89 65.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.447 ' O ' ' CMC' ' A' ' 113' ' ' HEC . 5.1 mttp -52.07 160.32 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.459 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 10.2 m -75.54 -41.29 55.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 108.328 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -67.85 -8.92 40.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.482 ' CB ' HG11 ' A' ' 32' ' ' VAL . 4.6 t70 -65.84 -18.44 65.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 95.3 m -131.39 -48.58 0.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 108.322 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -78.05 73.39 4.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.616 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.548 ' O ' ' CG ' ' A' ' 39' ' ' HIS . 7.4 p80 -83.75 60.8 5.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.61 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -134.62 152.01 76.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 42' ' ' GLY . 27.2 Cg_endo -55.76 152.54 34.57 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.321 3.348 . . . . 0.0 109.592 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' PRO . . . -49.05 179.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.91 -66.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.773 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -105.5 22.23 15.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -50.71 -37.88 43.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 110.268 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -103.6 83.86 2.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.817 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.72 -175.64 3.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.433 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -75.21 144.44 32.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.9 m -79.21 -31.79 43.81 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.353 -0.981 . . . . 0.0 108.353 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.6 p -89.04 19.67 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.44 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 31.5 m -67.37 156.17 37.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -56.3 152.88 10.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.07 21.0 36.8 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 19.0 m -133.45 -133.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 -91.29 48.35 1.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.608 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -87.89 65.02 8.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.503 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 3.6 mm -132.49 109.96 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 67.0 mt -100.6 8.44 43.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.503 ' OD2' ' CG2' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -96.28 69.68 2.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' A' ' 61' ' ' ALA . 6.5 pttt -44.51 142.64 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 60' ' ' LYS . . . 78.19 44.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -108.66 178.11 4.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -119.68 85.33 2.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.42 152.99 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.951 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.7 p -79.32 2.04 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -95.77 11.13 34.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 p -76.16 134.36 39.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.951 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.522 ' O ' ' CG ' ' A' ' 68' ' ' TRP . 33.2 t-105 -95.22 15.06 20.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 108.051 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.633 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 13.6 t80 -121.06 -8.18 9.35 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.842 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.544 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 4.8 ttmm -99.26 -43.88 6.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.6 m -64.82 -8.96 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 88.0 t -103.08 -46.14 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -106.1 34.31 3.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.617 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -84.63 136.42 33.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.83 11.77 3.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 77' ' ' GLY . 9.6 ttmt -105.79 53.62 0.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . 33.8 -142.34 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.415 ' C ' ' N ' ' A' ' 80' ' ' LYS . . . 129.24 -178.82 17.1 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.1 -24.31 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.415 ' N ' ' C ' ' A' ' 78' ' ' GLY . 6.9 ptmt -155.49 159.83 31.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -76.17 179.51 6.27 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.322 3.348 . . . . 0.0 109.641 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.3 p -129.59 -163.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.389 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.5 m -77.84 -2.04 34.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 108.318 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 88' ' ' LYS . 19.7 mm -112.56 -44.51 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.32 -59.8 4.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 7.8 t -62.03 -58.6 7.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 108.276 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -46.84 -35.93 6.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.544 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 84' ' ' ILE . 3.1 mmtp -62.52 -49.91 73.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -57.4 -38.97 75.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -60.04 -43.84 95.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.94 -80.37 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.9 -122.49 5.86 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.47 1.106 . . . . 0.0 110.964 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -35.96 60.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 0.79 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -54.57 102.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -69.52 -34.66 74.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -65.2 -26.76 68.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.527 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -89.22 -24.27 22.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -85.41 21.84 1.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.7 mmtm -137.73 43.75 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -163.53 -47.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.467 ' CD1' ' O1D' ' A' ' 115' ' ' HEC . 16.1 mt -89.81 -29.28 18.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.9 p -122.73 2.83 9.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.403 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.89 124.76 36.65 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.489 ' SG ' ' CMB' ' A' ' 116' ' ' HEC . 1.5 m -70.74 -47.09 61.53 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -124.32 129.59 51.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.71 44.66 14.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 110.966 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 95.2 p -112.62 174.49 5.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 110.019 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.67 -8.5 42.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 92.3 m -102.03 -46.05 4.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 108.295 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -117.03 83.8 15.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.612 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -91.32 71.1 1.0 Allowed 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.296 3.331 . . . . 0.0 109.548 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.031 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.529 ' CMA' HBA1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.472 ' CMC' ' CBC' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.559 ' O2A' ' CHA' ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 61.2 118.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.42 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 0.4 OUTLIER -54.28 119.84 22.45 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 3' ' ' VAL . 42.3 Cg_exo -41.54 164.19 0.03 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.298 3.332 . . . . 0.0 109.582 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.8 150.29 25.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -162.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.55 29.54 72.92 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 111.062 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.92 135.71 37.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -107.49 129.18 54.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.449 ' CG2' ' O1D' ' A' ' 116' ' ' HEC . 7.8 mt -119.09 120.36 63.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -164.11 93.85 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -116.0 -25.86 7.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.6 mt -97.45 101.81 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.34 90.57 4.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.05 -160.04 9.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.545 1.153 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.38 -174.21 27.72 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -39.4 -49.49 2.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 0.773 . . . . 0.0 110.293 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -143.92 -48.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 170.4 110.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.477 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 15.9 mt -74.99 117.79 17.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.25 116.91 32.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.3 t -101.8 141.23 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.7 t -106.73 151.58 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -141.15 144.8 35.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -127.64 124.14 37.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -73.9 -18.36 60.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.614 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.8 p -88.47 14.44 9.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.0 m -108.49 -37.44 5.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -100.98 24.22 9.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.65 -22.02 20.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.81 -0.62 55.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.502 HG13 ' CB ' ' A' ' 36' ' ' ASP . 33.8 t -114.36 133.27 60.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.425 ' O ' ' CMC' ' A' ' 113' ' ' HEC . 26.2 mmtt -55.57 161.85 1.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.472 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 9.0 m -75.47 -43.45 49.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 108.322 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -64.63 -10.27 25.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.502 ' CB ' HG13 ' A' ' 32' ' ' VAL . 4.2 t70 -64.57 -17.95 64.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.443 ' HA ' ' NZ ' ' A' ' 80' ' ' LYS . 90.3 m -130.75 -49.86 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 108.321 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -74.97 57.3 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.618 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.523 ' CG ' ' N ' ' A' ' 40' ' ' GLN . 15.2 p80 -56.56 -58.76 6.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.616 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.523 ' N ' ' CG ' ' A' ' 39' ' ' HIS . 34.3 tt0 -111.38 125.94 29.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -86.35 119.25 1.7 Allowed 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.295 3.33 . . . . 0.0 109.604 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.9 -84.76 0.09 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -86.95 -34.43 19.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -147.4 174.2 11.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' LYS . 1.9 tp60 -37.84 -32.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.522 ' CZ ' HMB1 ' A' ' 113' ' ' HEC . 57.7 m-85 -126.73 121.14 31.18 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.857 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.64 -175.94 4.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.439 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -78.7 150.46 34.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 18.3 m -80.32 -31.0 38.18 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 16.4 p -89.47 22.91 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.434 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 28.2 m -70.42 155.61 40.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.375 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.96 153.37 8.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.55 24.53 39.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 20.0 m -136.78 -130.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.408 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 52.3 m-70 -94.39 49.5 1.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.601 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -89.46 50.54 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.502 ' CG1' ' O ' ' A' ' 66' ' ' ASN . 1.6 mm -119.53 141.48 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.3 mt -121.2 91.89 3.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.462 ' CG ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -169.44 165.83 10.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -77.51 57.01 1.49 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.436 ' HB1' ' CD1' ' A' ' 69' ' ' TYR . . . 74.14 78.22 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 26.9 t0 -68.39 176.82 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -80.67 72.89 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.05 155.25 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.412 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 4.9 p -88.48 40.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.502 ' O ' ' CG1' ' A' ' 57' ' ' ILE . 31.1 m120 -133.51 9.96 4.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.42 140.92 45.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.991 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.511 ' O ' ' CG ' ' A' ' 68' ' ' TRP . 37.9 t-105 -95.42 14.35 22.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 108.027 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.63 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 5.6 t80 -120.82 -15.23 8.39 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.807 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 13.9 ttmm -94.92 -43.94 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.1 m -64.59 -8.23 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.2 t -104.59 -53.17 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -95.07 29.58 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.613 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -80.02 107.49 12.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.61 0.24 57.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -98.82 149.24 23.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.21 -162.24 0.54 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.531 1.145 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' ALA . . . 147.34 -171.87 27.88 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 78' ' ' GLY . . . -39.75 -44.85 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.443 ' NZ ' ' HA ' ' A' ' 37' ' ' CYS . 1.5 pttt -149.19 149.11 28.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.405 ' CB ' ' HB2' ' A' ' 85' ' ' SER . 13.7 Cg_endo -56.51 -173.03 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.348 3.366 . . . . 0.0 109.582 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.4 p -130.95 -163.98 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.5 m -78.44 -3.44 43.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.289 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 88' ' ' LYS . 4.4 mm -111.49 -44.38 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.405 ' HB2' ' CB ' ' A' ' 81' ' ' PRO . 0.7 OUTLIER -53.03 -60.48 3.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.002 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.5 t -61.41 -58.44 8.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 108.286 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.423 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 12.4 m170 -46.88 -35.9 6.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 84' ' ' ILE . 2.9 mtpt -62.82 -49.33 75.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -56.65 -40.43 75.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -61.46 -40.6 95.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -94.53 22.91 5.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.339 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -85.78 60.62 4.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 166.23 -57.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.767 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 96' ' ' GLU . 54.6 t0 -82.79 125.0 30.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -73.58 -41.65 62.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.443 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 6.4 tp10 -65.0 -27.08 68.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.264 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.527 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.8 OUTLIER -74.6 -20.99 59.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -85.38 20.12 2.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.21 44.71 2.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 107' ' ' SER . 8.4 ptpt -163.11 -47.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.488 ' O ' ' CMC' ' A' ' 116' ' ' HEC . 10.4 mt -90.09 -33.01 16.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 29.3 p -119.55 5.23 11.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.1 115.71 8.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.466 ' SG ' ' CMB' ' A' ' 116' ' ' HEC . 1.2 m -59.44 -51.02 71.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.6 141.01 52.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.27 40.04 56.33 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 30.7 p -114.21 -178.7 3.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.779 . . . . 0.0 110.035 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.18 -5.46 44.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 85.0 m -103.45 -46.76 4.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.477 1.111 . . . . 0.0 108.264 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -117.96 83.25 18.62 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.592 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -92.21 70.5 0.75 Allowed 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.365 3.377 . . . . 0.0 109.607 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.017 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.522 HMB1 ' CZ ' ' A' ' 46' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . 0.466 ' CHD' ' OE1' ' A' ' 40' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.471 ' CMC' ' CBC' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.555 ' O2A' ' CHA' ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.428 ' CG ' ' N ' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -57.33 -162.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.428 ' N ' ' CG ' ' A' ' 6' ' ' ASP . . . 68.81 28.73 72.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.422 1.076 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' A' ' 23' ' ' VAL . . . -88.46 136.83 32.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.539 ' HG2' HG22 ' A' ' 23' ' ' VAL . 32.7 mttp -118.1 139.82 50.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.093 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.8 mt -114.03 133.11 61.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.467 ' HB2' HG23 ' A' ' 21' ' ' THR . 2.8 t70 -163.07 86.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -115.33 -26.09 7.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.6 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.4 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.467 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.5 m -88.76 111.02 21.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.418 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 109' ' ' CYS . 68.9 t -96.84 139.02 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.539 HG22 ' HG2' ' A' ' 9' ' ' LYS . 90.0 t -99.55 142.01 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -136.22 153.41 51.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 40.7 t-20 -138.23 139.54 39.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.453 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 13.0 m80 -86.64 -21.78 26.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.614 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.39 4.59 17.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.011 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.7 m -100.95 -39.75 7.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -100.44 23.01 10.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.613 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -56.42 -19.4 14.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.0 2.69 53.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.7 t -115.0 129.61 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -51.72 158.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.8 m -73.99 -43.47 57.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 108.312 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -65.62 -10.03 32.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -64.82 -18.01 64.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 81.6 m -131.73 -49.27 0.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 108.344 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -76.93 81.85 3.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.579 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.444 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 3.8 p80 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 109.646 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 . . . . . 0 N--CA 1.448 -0.536 0 CA-C-O 118.909 -0.567 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.09 169.76 13.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.17 143.99 47.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.9 m -79.63 -30.14 41.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 51.6 p -91.23 20.45 5.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.3 m -67.16 155.41 38.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.43 152.99 7.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.38 17.99 34.53 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.3 m -131.95 -135.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.423 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 44.2 m-70 -89.84 47.4 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.585 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -87.85 66.26 8.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.404 ' CG1' ' O ' ' A' ' 66' ' ' ASN . 3.8 mm -133.78 109.2 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 72.2 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 tttt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.77 159.19 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 65' ' ' VAL . 4.3 p -81.27 4.03 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.423 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 27.9 m120 -97.78 12.46 33.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 p -78.33 133.75 37.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.038 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 28.1 t-105 -95.47 15.51 19.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 107.945 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.624 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 13.2 t80 -122.96 -1.21 8.87 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.819 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 2.7 ttmm -107.25 -39.34 5.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 35.6 m -69.57 -4.58 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.8 t -104.96 -47.21 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -103.9 31.42 4.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.581 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.765 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 N--CA 1.448 -1.18 0 N-CA-C 109.562 -0.976 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.765 HG21 ' HB2' ' A' ' 74' ' ' ASP . 37.4 p -131.08 -164.32 1.42 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.442 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.8 m -78.26 -1.9 35.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 108.319 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 88' ' ' LYS . 10.0 mm -112.96 -44.19 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.13 -60.48 3.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 110.011 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.7 t -61.56 -58.89 6.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -45.61 -38.29 6.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.585 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 84' ' ' ILE . 4.3 mmtt -60.53 -47.91 84.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.82 -39.82 74.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -63.13 -43.81 97.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.7 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.7 HD12 ' HB2' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -78.31 -20.88 50.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -86.11 22.58 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -142.92 46.66 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 107' ' ' SER . 7.4 ptmt -167.83 -45.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 97' ' ' LEU . 11.3 mt -90.06 -32.49 16.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.4 p -122.26 1.19 9.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.401 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.35 114.93 5.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.58 -47.13 87.57 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.6 ttmt -124.43 132.34 53.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.34 45.58 14.33 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 30.3 p -115.47 176.27 5.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.957 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.67 -6.0 41.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.682 ' O ' HG22 ' A' ' 22' ' ' VAL . 97.3 m -103.42 -46.28 4.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 108.352 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -116.82 83.88 14.95 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.596 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 57.9 Cg_endo -89.74 70.48 1.86 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.321 3.347 . . . . 0.0 109.595 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 110.034 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -69.44 -179.35 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.48 46.24 56.51 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.94 116.0 28.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -80.49 139.95 36.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.692 HD11 ' HB2' ' A' ' 24' ' ' PHE . 14.3 mt -119.1 128.81 75.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.638 ' HB2' HG23 ' A' ' 21' ' ' THR . 2.3 t70 -164.09 95.75 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -116.3 -27.36 6.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 95.4 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.2 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.638 HG23 ' HB2' ' A' ' 11' ' ' ASP . 3.9 m -126.24 120.21 29.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.44 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 109' ' ' CYS . 88.3 t -97.13 150.11 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.0 t -113.62 142.98 24.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.692 ' HB2' HD11 ' A' ' 10' ' ' ILE . 24.1 t80 -129.6 171.98 12.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -163.65 121.67 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -74.45 -11.16 60.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.564 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 87.2 p -92.84 19.85 7.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.026 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.6 m -119.38 -37.26 3.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.375 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -101.91 23.93 10.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.59 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.54 -19.23 14.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -88.06 -1.79 58.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.53 HG12 ' CB ' ' A' ' 36' ' ' ASP . 39.1 t -111.39 128.73 67.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -51.29 159.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.9 m -73.85 -43.52 58.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 108.321 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -65.66 -9.57 28.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.53 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.2 t70 -64.59 -18.22 64.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 93.4 m -131.31 -49.02 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 108.316 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -76.39 90.32 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.627 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.476 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 2.8 p80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.619 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 . . . . . 0 N--CA 1.449 -0.488 0 CA-C-O 118.908 -0.568 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.81 -177.21 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.414 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -73.46 144.26 34.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.7 m -80.8 -32.83 35.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.7 p -88.99 19.89 3.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 22.9 m -67.1 156.04 37.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.51 153.9 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.0 17.98 24.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.3 m -130.84 -132.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -92.55 46.64 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.584 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -86.18 66.11 9.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.2 mm -132.06 108.78 14.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 72.6 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t -176.74 160.54 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.977 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.663 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.0 p -88.4 38.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -131.04 9.27 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.22 135.02 38.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.17 . . . . 0.0 109.981 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.497 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 40.9 t-105 -92.24 13.34 19.46 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.61 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 14.5 t80 -118.21 -9.31 10.49 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.825 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 6.9 ttmt -99.74 -45.46 5.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 26.9 m -64.71 -8.57 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 74.7 t -103.9 -46.29 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -104.56 32.77 3.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.606 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.865 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 N--CA 1.447 -1.24 0 N-CA-C 109.616 -0.955 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.865 HG21 ' HB2' ' A' ' 74' ' ' ASP . 41.0 p -130.34 -165.03 1.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m -78.03 -2.84 39.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 108.334 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 84' ' ' ILE . 5.7 mm -111.74 -43.99 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.5 -60.85 2.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.018 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 8.8 t -60.57 -57.99 10.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 108.296 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.405 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 7.8 m170 -46.84 -38.92 11.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.622 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 84' ' ' ILE . 7.6 mmtm -59.7 -48.15 82.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -56.08 -40.34 73.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -63.71 -42.77 97.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.7 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.7 HD12 ' HB2' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -78.8 -20.9 48.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -85.86 21.84 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -140.81 45.84 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 107' ' ' SER . 7.3 ptmt -167.0 -43.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.452 ' CD1' HD11 ' A' ' 97' ' ' LEU . 13.1 mt -93.44 -32.54 14.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.5 p -123.01 4.61 9.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.402 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -60.43 108.43 1.81 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.2 m -51.36 -51.38 55.06 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -124.14 136.84 54.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.72 43.74 22.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.12 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 72.2 p -117.71 177.91 4.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.73 -4.1 32.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.421 ' O ' ' HD3' ' A' ' 111' ' ' PRO . 94.7 m -104.95 -46.59 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 108.302 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -117.58 83.37 17.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.589 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 44.1 Cg_endo -91.62 71.8 0.85 Allowed 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.294 3.329 . . . . 0.0 109.572 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.008 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 5' ' ' ALA . 0.7 OUTLIER -54.3 -171.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.19 41.97 98.13 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.69 110.9 23.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 0.761 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -85.7 138.25 32.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.611 HD11 ' HB2' ' A' ' 24' ' ' PHE . 13.0 mt -112.98 130.9 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.44 ' HB2' HG23 ' A' ' 21' ' ' THR . 3.4 t0 -161.49 92.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -115.11 -27.76 7.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 75.6 mt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.0 mt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.44 HG23 ' HB2' ' A' ' 11' ' ' ASP . 2.6 m -118.05 110.03 17.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 109' ' ' CYS . 54.1 t -89.82 145.8 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.0 t -105.74 127.49 60.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.611 ' HB2' HD11 ' A' ' 10' ' ' ILE . 17.1 t80 -122.14 168.02 12.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.473 ' CG ' ' HG ' ' A' ' 27' ' ' SER . 15.7 t30 -158.0 143.14 16.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.456 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 12.8 m80 -87.45 -27.19 22.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.597 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.473 ' HG ' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -75.14 -0.85 20.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.956 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.45 ' OG1' ' ND2' ' A' ' 25' ' ' ASN . 39.6 m -93.0 -39.45 11.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 -104.63 24.85 11.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.585 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.77 -19.7 18.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.49 -0.75 57.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.484 HG12 ' CB ' ' A' ' 36' ' ' ASP . 35.9 t -109.73 133.69 54.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -54.46 160.04 1.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.3 m -75.07 -42.77 56.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 108.291 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -65.59 -10.08 32.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.272 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.484 ' CB ' HG12 ' A' ' 32' ' ' VAL . 2.5 t70 -64.75 -18.36 64.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 87.0 m -131.77 -49.11 0.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 108.282 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -76.45 77.67 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.585 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.58 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 5.0 p80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.594 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 . . . . . 0 N--CA 1.449 -0.494 0 CA-C-O 118.912 -0.566 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.04 179.81 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.103 . . . . 0.0 109.356 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.4 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -69.56 149.89 48.91 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.7 m -80.95 -32.09 34.63 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.4 p -88.75 19.49 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.427 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' A' ' 54' ' ' CYS . 23.7 m -67.43 156.39 36.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.412 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.69 153.5 10.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.53 20.06 29.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.135 . . . . 0.0 111.032 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 51' ' ' THR . 21.1 m -131.98 -132.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.413 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 21.7 m80 -93.09 48.14 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.577 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -87.18 64.86 8.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.2 mm -131.57 109.1 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.8 mt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.7 160.83 2.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.021 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 65' ' ' VAL . 6.0 p -86.49 13.52 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.413 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 30.4 m120 -108.49 10.17 27.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 p -75.38 134.45 40.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.986 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.524 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 31.6 t-105 -94.17 14.07 21.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 108.022 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.653 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 5.7 t80 -119.96 -9.27 9.68 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.825 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 7.9 ttmm -99.96 -44.11 6.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 29.9 m -64.25 -8.71 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 80.4 t -102.49 -53.28 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -93.88 25.04 3.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.615 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.751 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo . . . . . 0 N--CA 1.447 -1.238 0 N-CA-C 109.619 -0.954 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.751 HG21 ' CB ' ' A' ' 74' ' ' ASP . 31.8 p -137.23 -165.69 1.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.414 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.9 m -77.25 -3.17 38.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 108.273 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 88' ' ' LYS . 6.2 mm -112.24 -44.33 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.5 -61.57 2.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.95 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 6.9 t -59.98 -57.27 13.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 108.269 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.425 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 10.0 m170 -47.59 -37.35 12.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.57 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 84' ' ' ILE . 8.5 mtpt -61.74 -48.38 80.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -56.99 -40.25 76.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -59.96 -40.91 90.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.177 . . . . 0.0 109.264 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.429 ' O ' ' NZ ' ' A' ' 100' ' ' LYS . 11.7 tt0 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.002 HD22 ' HD2' ' A' ' 100' ' ' LYS . 0.8 OUTLIER -74.69 -19.04 60.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -85.87 22.48 1.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -137.35 47.22 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 1.002 ' HD2' HD22 ' A' ' 97' ' ' LEU . 3.4 ptpp? -164.34 -47.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.425 ' HB3' ' ND1' ' A' ' 87' ' ' HIS . 11.3 mt -90.15 -28.98 18.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.0 p -122.76 4.19 9.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.39 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.1 117.01 10.18 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.83 -57.19 14.13 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -121.87 138.48 54.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.15 42.15 29.78 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.1 p -117.8 -179.73 3.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.76 . . . . 0.0 110.038 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.42 -3.96 33.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.786 ' O ' HG22 ' A' ' 22' ' ' VAL . 77.4 m -104.67 -47.34 4.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 108.284 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -118.01 83.1 18.49 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 109.608 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 44.0 Cg_endo -92.05 71.91 0.72 Allowed 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.282 3.321 . . . . 0.0 109.616 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.09 -166.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.57 35.93 67.92 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.42 99.94 11.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.47 ' HD3' ' CG2' ' A' ' 21' ' ' THR . 0.0 OUTLIER -72.71 145.61 47.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 109.329 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.537 HD11 ' HB2' ' A' ' 24' ' ' PHE . 12.4 mt -125.58 125.59 68.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -165.49 92.89 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -115.27 -24.38 8.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.3 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.1 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.47 ' CG2' ' HD3' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -80.94 112.41 18.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 110.367 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 109' ' ' CYS . 54.8 t -101.37 144.52 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.0 t -105.05 137.63 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.537 ' HB2' HD11 ' A' ' 10' ' ' ILE . 51.1 t80 -132.8 150.41 52.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 37.0 t30 -137.03 144.84 43.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.451 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 16.4 m80 -87.24 -25.34 24.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.609 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.449 ' H ' ' HG ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -74.67 -1.91 23.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.018 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.6 m -93.59 -40.05 10.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -103.18 23.99 11.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.63 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -57.1 -18.28 14.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -90.99 1.65 56.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.467 HG13 ' OD2' ' A' ' 36' ' ' ASP . 54.0 t -112.1 130.54 65.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -52.25 155.96 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.5 m -71.33 -46.5 60.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 108.306 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.5 p30 -63.17 -10.24 14.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.467 ' OD2' HG13 ' A' ' 32' ' ' VAL . 4.9 t0 -64.23 -18.03 64.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.8 m -131.9 -49.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.308 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.74 82.87 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 109.622 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.432 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 4.4 p80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.585 1.178 . . . . 0.0 109.662 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 . . . . . 0 N--CA 1.449 -0.524 0 CA-C-O 118.922 -0.561 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.36 -176.78 3.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.407 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -74.45 145.64 34.68 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.554 1.159 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.8 m -80.55 -32.63 36.65 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 36.3 p -88.78 19.26 4.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 24.1 m -67.09 155.86 37.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -56.1 153.65 8.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.63 20.32 31.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.142 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.5 m -133.08 -133.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.422 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 49.0 m-70 -91.56 48.08 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.59 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -88.99 65.97 7.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.4 mm -132.92 108.89 13.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 67.5 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.936 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.41 163.21 2.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.996 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.3 p -86.16 12.4 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 28.8 m120 -106.32 11.41 31.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.7 p -77.41 133.63 38.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.007 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.526 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 30.8 t-105 -93.4 13.99 19.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 108.018 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.615 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 15.6 t80 -121.36 -2.01 9.59 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.848 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 4.3 ttmm -105.86 -41.13 5.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.6 m -68.83 -5.29 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.82 -49.18 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -102.28 31.04 4.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.616 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.783 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo . . . . . 0 N--CA 1.448 -1.189 0 N-CA-C 109.584 -0.968 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.783 HG21 ' HB2' ' A' ' 74' ' ' ASP . 37.7 p -132.03 -164.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.357 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.8 m -77.62 -2.82 37.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 108.301 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 88' ' ' LYS . 6.0 mm -111.88 -44.93 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.62 -60.3 3.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.997 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 7.3 t -61.45 -57.37 12.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 108.343 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.41 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 9.8 m170 -47.49 -33.27 6.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.591 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 84' ' ' ILE . 5.0 mtpt -67.51 -48.78 66.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -58.05 -38.46 76.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -59.75 -42.84 94.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.788 ' HB1' ' HB2' ' A' ' 98' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.719 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -76.62 -26.74 55.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.788 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 5.6 ttmm -84.72 22.83 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -136.91 42.91 2.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt -162.43 -50.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.234 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.41 ' HB3' ' ND1' ' A' ' 87' ' ' HIS . 11.4 mt -83.44 -27.92 29.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 28.4 p -120.75 -2.25 9.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.421 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -49.69 129.12 25.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.444 1.09 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.09 -50.2 12.49 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -121.54 127.04 50.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.93 44.61 13.86 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.1 p -110.49 174.57 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.776 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.14 -9.29 45.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.745 ' O ' HG22 ' A' ' 22' ' ' VAL . 91.1 m -101.89 -45.32 5.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 108.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -117.22 84.08 16.77 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.602 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 44.7 Cg_endo -91.72 70.39 0.91 Allowed 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.306 3.337 . . . . 0.0 109.635 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.9 -167.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.37 29.51 71.76 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.425 ' O ' ' HA ' ' A' ' 23' ' ' VAL . . . -86.23 135.85 33.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.792 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -117.92 135.48 54.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.8 mt -114.39 125.31 71.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.505 ' HB2' HG23 ' A' ' 21' ' ' THR . 4.7 t70 -158.22 90.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -115.53 -25.29 7.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.9 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.2 mt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.505 HG23 ' HB2' ' A' ' 11' ' ' ASP . 0.6 OUTLIER -123.02 114.36 20.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.419 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 109' ' ' CYS . 83.0 t -97.08 127.15 49.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 50.6 t -92.58 139.33 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -131.82 145.62 51.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.17 124.19 34.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -74.77 -18.3 60.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.8 p -88.2 15.79 7.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.041 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.8 m -113.17 -33.31 6.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -103.26 23.07 13.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.629 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -56.69 -18.35 12.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.74 0.64 55.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.57 HG12 ' CB ' ' A' ' 36' ' ' ASP . 21.8 t -117.45 128.6 74.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -51.56 159.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.259 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.8 m -73.6 -40.95 63.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 108.333 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -67.61 -8.69 36.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.57 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.7 t70 -65.67 -17.8 64.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.7 m -131.24 -48.68 1.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 108.345 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -76.38 88.13 3.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.605 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.57 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 4.0 p80 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.588 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 . . . . . 0 N--CA 1.45 -0.458 0 CA-C-O 118.945 -0.55 . . . . 0.0 109.828 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.91 -175.47 3.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.57 136.59 16.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.1 m -75.35 -32.97 61.05 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 p -89.83 20.43 4.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 54' ' ' CYS . 89.1 m -70.1 156.04 39.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -55.14 151.69 8.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.38 28.38 55.13 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.445 1.091 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 51' ' ' THR . 30.1 m -140.36 -131.76 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.409 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 56.0 m-70 -94.43 49.8 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -92.1 67.76 5.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.8 mm -133.89 110.64 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.0 mt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.35 157.9 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 65' ' ' VAL . 3.7 p -81.99 4.78 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 28.3 m120 -98.57 11.47 38.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 p -76.81 133.26 39.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.523 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 32.1 t-105 -94.52 14.35 21.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 107.998 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.617 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 15.2 t80 -122.31 -1.77 9.13 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.853 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 2.9 ttmm -106.85 -42.41 4.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 30.2 m -64.9 -9.37 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.5 t -102.03 -52.49 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -94.46 25.12 4.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.589 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.747 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 N--CA 1.447 -1.217 0 N-CA-C 109.532 -0.988 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.747 HG21 ' CB ' ' A' ' 74' ' ' ASP . 30.2 p -137.46 -166.42 1.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.9 m -77.5 -3.79 42.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 108.295 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 88' ' ' LYS . 6.7 mm -111.71 -43.85 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.49 -60.7 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 10.9 t -61.33 -56.8 16.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 108.275 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.427 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 10.0 m170 -47.34 -36.95 10.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.628 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 84' ' ' ILE . 6.4 mttm -61.7 -47.27 86.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -57.53 -39.21 76.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -62.68 -40.08 95.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.599 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.832 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -75.7 -20.07 58.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -86.31 22.62 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.71 48.31 1.92 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.699 ' HD2' HD22 ' A' ' 97' ' ' LEU . 10.3 ptpt -167.38 -45.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.427 ' HB3' ' ND1' ' A' ' 87' ' ' HIS . 13.7 mt -91.21 -32.57 15.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.6 p -122.31 14.2 10.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.28 119.39 7.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.147 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -61.26 -53.15 60.49 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.35 137.83 54.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.13 41.06 40.58 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 95.7 p -113.37 175.51 5.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.988 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.29 -6.69 41.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.501 ' O ' HG22 ' A' ' 22' ' ' VAL . 95.8 m -102.12 -46.84 4.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 108.327 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -117.47 83.54 17.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.597 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 46.1 Cg_endo -91.42 71.87 0.91 Allowed 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.308 3.339 . . . . 0.0 109.625 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.0 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.413 ' OD2' ' N ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -55.69 -167.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.413 ' N ' ' OD2' ' A' ' 6' ' ' ASP . . . 69.58 32.1 71.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' A' ' 23' ' ' VAL . . . -88.87 135.2 33.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 109.256 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -113.62 133.56 55.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.497 HD11 ' HB2' ' A' ' 24' ' ' PHE . 11.2 mt -111.94 124.42 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.612 ' HB2' HG23 ' A' ' 21' ' ' THR . 6.9 t70 -158.78 92.38 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.174 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -115.22 -27.68 7.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 76.5 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.8 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.612 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.5 m -120.71 117.6 27.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.409 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 109' ' ' CYS . 73.8 t -99.76 136.51 30.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 88.9 t -100.18 135.05 37.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.497 ' HB2' HD11 ' A' ' 10' ' ' ILE . 58.1 t80 -127.12 145.98 50.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -128.75 125.48 37.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -74.72 -20.12 59.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.583 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.1 p -88.09 16.03 6.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 110.036 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.6 m -110.66 -35.12 6.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.414 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -103.55 23.84 12.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.586 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.2 -19.82 15.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -84.66 -2.57 57.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.612 HG12 ' CB ' ' A' ' 36' ' ' ASP . 7.6 t -114.41 130.8 68.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.61 159.39 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.4 m -72.83 -41.56 64.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 108.28 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -66.34 -9.72 35.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.612 ' CB ' HG12 ' A' ' 32' ' ' VAL . 3.5 t70 -65.09 -18.45 65.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 96.2 m -130.25 -49.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 108.327 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -76.45 74.78 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.599 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.2 p80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.586 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 N--CA 1.449 -0.477 0 CA-C-O 118.84 -0.6 . . . . 0.0 109.785 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.56 -176.88 5.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.405 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -76.96 145.54 31.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 25.6 m -80.13 -35.15 37.12 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 19.5 p -89.41 21.67 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 25.8 m -66.73 156.37 35.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.402 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.87 152.82 6.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.53 20.59 31.4 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 51' ' ' THR . 17.1 m -134.14 -137.02 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.439 ' O ' ' HA ' ' A' ' 50' ' ' THR . 51.8 m-70 -86.47 44.88 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.601 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -83.91 68.71 10.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.7 mm -133.76 109.26 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.2 mttt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.07 158.41 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.2 p -83.59 7.58 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.419 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 31.9 m120 -101.42 8.41 42.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 p -74.97 136.68 41.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.552 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 30.0 t-105 -97.37 17.41 17.51 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.653 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 7.9 t80 -122.81 -7.18 8.49 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.808 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.568 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 5.3 ttmt -101.71 -42.86 6.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.5 m -64.17 -7.92 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.9 t -104.99 -53.31 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -94.56 25.96 3.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.596 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.771 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo . . . . . 0 N--CA 1.447 -1.222 0 N-CA-C 109.601 -0.961 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.771 HG21 ' CB ' ' A' ' 74' ' ' ASP . 24.9 p -138.0 -165.69 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 110.376 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.8 m -77.07 -3.38 38.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 108.255 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.474 HG22 ' HD2' ' A' ' 88' ' ' LYS . 8.5 mm -112.07 -44.54 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.32 -61.26 2.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 6.6 t -60.4 -57.74 11.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 108.307 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.445 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 10.6 m170 -47.02 -37.56 9.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.599 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.474 ' HD2' HG22 ' A' ' 84' ' ' ILE . 12.1 mttt -60.98 -47.37 86.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -55.98 -40.86 73.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.4 mmtm -62.71 -41.95 99.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.528 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.656 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -76.96 -20.99 55.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -85.82 24.49 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -143.52 48.06 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.568 ' HD2' HD22 ' A' ' 97' ' ' LEU . 13.1 ptpt -167.5 -46.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.445 ' HB3' ' ND1' ' A' ' 87' ' ' HIS . 10.8 mt -91.2 -32.17 15.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.8 p -121.29 6.91 10.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.443 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -63.48 115.54 8.11 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -57.78 -54.97 40.91 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -123.71 138.54 54.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.22 42.2 29.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.4 p -117.66 -179.68 3.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.52 -4.61 37.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.688 ' O ' HG22 ' A' ' 22' ' ' VAL . 93.5 m -104.07 -46.99 4.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 108.278 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -118.41 83.59 21.36 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.593 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 45.6 Cg_endo -92.73 73.23 0.48 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.28 3.32 . . . . 0.0 109.567 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' ALA . 1.2 p-10 -55.49 -167.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.89 34.73 65.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.426 ' O ' ' HA ' ' A' ' 23' ' ' VAL . . . -91.62 135.54 33.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -115.25 136.38 53.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.1 mt -115.34 124.65 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.44 ' HB2' HG23 ' A' ' 21' ' ' THR . 7.1 t70 -160.48 92.49 0.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -116.38 -27.6 6.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 71.3 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.3 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.44 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.4 m -97.82 111.61 23.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 110.428 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 109' ' ' CYS . 66.0 t -96.9 131.03 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 64.8 t -93.98 141.19 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.405 ' C ' ' ND2' ' A' ' 25' ' ' ASN . 51.0 t80 -131.92 159.57 38.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.405 ' ND2' ' C ' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -142.88 125.8 16.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -75.47 -16.34 60.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.6 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.5 p -90.37 15.42 10.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.2 m -112.49 -28.77 7.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.425 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -111.15 22.47 15.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 109.545 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -56.66 -19.05 14.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.29 -2.57 58.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.586 HG12 ' CB ' ' A' ' 36' ' ' ASP . 13.0 t -112.84 131.38 64.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -52.81 157.74 1.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.7 m -72.59 -40.85 66.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 108.278 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.6 p30 -67.71 -8.82 38.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.586 ' CB ' HG12 ' A' ' 32' ' ' VAL . 3.9 t70 -65.27 -18.61 65.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.6 m -130.78 -48.13 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 108.28 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -77.84 79.52 4.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.599 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.427 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 4.2 p80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.584 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 N--CA 1.449 -0.498 0 CA-C-O 118.849 -0.596 . . . . 0.0 109.824 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.1 -176.86 4.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.408 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -75.37 143.46 30.57 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.5 m -80.95 -34.64 33.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 72.2 p -88.91 19.1 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 19.9 m -65.31 156.05 33.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -55.77 153.24 8.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.68 15.68 19.79 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.549 1.156 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 13.6 m -128.84 -135.93 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' A' ' 50' ' ' THR . 20.1 m80 -88.46 44.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.599 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -84.39 65.84 9.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.8 mm -133.56 108.64 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 47.5 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.1 t -175.18 153.77 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 65' ' ' VAL . 4.4 p -79.22 1.26 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 1.6 m-20 -96.02 13.05 28.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.2 p -78.66 133.5 37.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.511 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 33.2 t-105 -93.21 13.03 22.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 108.005 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.644 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 9.7 t80 -119.06 -7.38 10.37 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.821 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 9.8 tttm -99.77 -44.97 5.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.0 m -64.79 -9.46 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 74.3 t -101.14 -47.85 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -103.6 32.87 3.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.581 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.817 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo . . . . . 0 N--CA 1.447 -1.23 0 N-CA-C 109.58 -0.969 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.817 HG21 ' HB2' ' A' ' 74' ' ' ASP . 43.2 p -123.43 -162.12 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.405 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.2 m -78.82 0.42 27.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 108.293 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 88' ' ' LYS . 7.7 mm -112.94 -46.57 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 t -52.58 -59.25 4.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.028 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.8 t -62.0 -59.78 4.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 108.317 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.423 ' CG ' ' HB3' ' A' ' 101' ' ' LEU . 11.3 m170 -46.75 -31.41 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.632 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 84' ' ' ILE . 0.7 OUTLIER -69.94 -50.75 38.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.17 -38.34 70.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -58.54 -41.88 86.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.642 ' HB1' ' HB2' ' A' ' 98' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.919 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -96.22 -20.0 18.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.642 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 1.4 tmtp? -85.98 23.27 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -138.24 48.21 1.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.895 ' HD2' HD22 ' A' ' 97' ' ' LEU . 12.0 ptpt -165.22 -47.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.423 ' HB3' ' CG ' ' A' ' 87' ' ' HIS . 14.0 mt -87.52 -29.38 21.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 32.8 p -119.52 -2.52 10.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -50.97 122.8 14.93 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.2 m -69.59 -51.15 37.83 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.4 130.89 53.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.61 44.3 16.39 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.3 p -113.93 177.32 4.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 109.979 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.78 -7.01 41.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.649 ' O ' HG22 ' A' ' 22' ' ' VAL . 91.5 m -103.16 -46.39 4.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 108.297 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -117.08 83.95 15.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.567 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 44.5 Cg_endo -91.29 72.78 0.87 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.323 3.349 . . . . 0.0 109.57 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -165.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.02 45.82 92.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.99 138.72 36.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.449 ' HG2' HG22 ' A' ' 23' ' ' VAL . 24.5 mttm -112.71 137.04 51.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.602 HD11 ' HB2' ' A' ' 24' ' ' PHE . 9.1 mt -114.85 125.75 72.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.575 ' HB2' HG23 ' A' ' 21' ' ' THR . 11.0 t0 -161.33 96.19 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -117.61 -29.93 5.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.481 ' O ' HG22 ' A' ' 13' ' ' ILE . 91.4 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.575 HG23 ' HB2' ' A' ' 11' ' ' ASP . 3.4 m -119.2 112.82 19.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.391 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.595 HG22 ' O ' ' A' ' 109' ' ' CYS . 77.2 t -92.79 138.79 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.449 HG22 ' HG2' ' A' ' 9' ' ' LYS . 95.2 t -103.2 139.32 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.602 ' HB2' HD11 ' A' ' 10' ' ' ILE . 51.5 t80 -123.82 175.9 6.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.133 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -160.75 121.73 2.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -74.97 -19.49 60.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.583 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.9 p -87.78 15.74 6.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.033 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.4 m -112.87 -33.74 5.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.376 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -106.88 24.99 11.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.596 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -19.52 17.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -87.06 -1.28 57.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.57 HG12 ' CB ' ' A' ' 36' ' ' ASP . 18.5 t -111.61 128.86 67.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -51.32 156.39 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.8 m -71.99 -38.99 69.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 108.346 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -70.45 -6.93 39.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.57 ' CB ' HG12 ' A' ' 32' ' ' VAL . 2.1 t70 -67.22 -18.42 65.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 99.9 m -130.32 -47.53 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 108.308 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -78.45 81.34 4.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.594 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.486 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 2.7 p80 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.623 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 . . . . . 0 N--CA 1.45 -0.458 0 CA-C-O 118.893 -0.575 . . . . 0.0 109.838 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.77 -177.02 4.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.411 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -74.63 145.54 34.27 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.0 m -81.37 -32.63 32.79 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.8 p -89.04 19.93 3.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.412 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 19.7 m -67.5 156.15 37.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -56.83 153.66 10.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.09 18.05 25.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.4 m -130.4 -131.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -93.74 47.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.575 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -85.85 64.55 8.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.2 mm -131.5 108.92 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 54.9 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.73 164.4 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.938 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.3 p -89.79 24.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -120.09 9.88 11.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 p -76.06 134.67 40.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.499 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 39.5 t-105 -93.66 13.45 22.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 108.05 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.632 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 6.0 t80 -118.73 -11.14 9.86 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.843 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 5.8 ttmm -98.0 -44.87 6.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 26.9 m -64.62 -8.75 5.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 71.9 t -103.66 -46.13 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -103.58 31.65 4.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.579 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.826 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo . . . . . 0 N--CA 1.447 -1.221 0 N-CA-C 109.563 -0.976 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.826 HG21 ' HB2' ' A' ' 74' ' ' ASP . 41.6 p -129.58 -164.47 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.369 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.9 m -78.15 -4.25 46.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 108.281 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 88' ' ' LYS . 6.6 mm -110.32 -44.17 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.538 ' H ' ' HG ' ' A' ' 85' ' ' SER . 0.7 OUTLIER -53.41 -60.35 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.963 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.4 t -60.67 -58.79 6.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.322 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -46.54 -37.95 8.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.589 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 84' ' ' ILE . 14.2 mtpt -60.38 -48.34 82.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -56.42 -40.62 75.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -61.76 -40.62 95.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.604 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.789 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -75.7 -20.8 58.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -86.01 22.69 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.46 46.41 1.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.482 ' HE2' HD22 ' A' ' 97' ' ' LEU . 6.4 ptmt -166.33 -45.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.422 ' CD1' HD11 ' A' ' 97' ' ' LEU . 16.0 mt -91.89 -32.26 15.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.9 p -120.06 2.94 10.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.406 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.7 117.29 9.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.2 m -60.95 -52.39 65.23 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.62 133.81 53.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.36 45.35 11.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.4 p -119.13 -179.51 3.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 110.023 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.24 -4.0 33.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.595 ' O ' HG22 ' A' ' 22' ' ' VAL . 87.0 m -105.88 -46.54 4.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 108.286 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -117.32 83.64 16.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.609 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 43.4 Cg_endo -91.62 72.53 0.8 Allowed 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.287 3.324 . . . . 0.0 109.568 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 98.4 p . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.907 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -164.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.17 35.08 70.21 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.7 97.3 9.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 0.747 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.432 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -70.79 142.16 51.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.504 HD11 ' HB2' ' A' ' 24' ' ' PHE . 11.4 mt -123.36 121.65 63.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.491 ' HB2' HG23 ' A' ' 21' ' ' THR . 5.8 t70 -160.95 91.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -115.35 -25.85 7.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.4 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.6 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.491 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -104.89 112.35 25.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.432 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 109' ' ' CYS . 71.0 t -98.26 141.67 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.2 t -105.29 140.68 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.504 ' HB2' HD11 ' A' ' 10' ' ' ILE . 45.2 t80 -133.75 150.29 51.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 48.7 t-20 -135.53 142.43 45.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.454 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 14.9 m80 -87.11 -21.06 26.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.607 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.22 6.28 17.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.5 m -102.09 -39.5 7.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -102.73 23.65 11.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.609 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -56.68 -18.69 13.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.23 -0.44 57.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.579 HG12 ' CB ' ' A' ' 36' ' ' ASP . 17.4 t -112.65 130.8 65.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -51.61 160.97 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.6 m -75.56 -40.39 56.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 108.332 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.0 p30 -68.4 -8.19 38.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.579 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.6 t70 -66.21 -18.03 65.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 86.4 m -131.66 -48.84 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 108.321 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -77.58 68.0 3.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.574 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 5.8 p80 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.574 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 . . . . . 0 N--CA 1.45 -0.473 0 CA-C-O 118.866 -0.588 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.37 175.73 9.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.402 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -66.91 139.77 37.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.464 1.103 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.2 m -75.36 -29.57 59.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 50.4 p -91.59 23.12 3.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 89.5 m -71.97 154.98 40.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -54.67 153.29 6.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.352 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.45 25.43 49.4 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.464 1.103 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.1 m -138.92 -131.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.255 -1.016 . . . . 0.0 108.255 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.407 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 45.9 m-70 -94.19 49.95 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.595 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -88.3 63.08 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.2 mm -132.31 115.33 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.5 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.0 tttt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.9 p -175.51 162.3 2.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 65' ' ' VAL . 6.1 p -85.13 9.48 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.407 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 1.6 m-20 -104.33 14.32 30.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.6 p -78.0 133.25 38.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.527 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 30.8 t-105 -94.4 14.38 20.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 107.999 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.626 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 15.2 t80 -124.14 -1.27 8.25 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.802 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 74' ' ' ASP . 2.7 ttmm -107.69 -37.06 6.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 28.0 m -73.79 -2.28 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.7 t -105.4 -54.62 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -92.94 24.24 3.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.591 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.788 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.59 1.181 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo . . . . . 0 N--CA 1.447 -1.21 0 N-CA-C 109.581 -0.969 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.788 HG21 ' CB ' ' A' ' 74' ' ' ASP . 34.2 p -140.44 -166.58 2.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.403 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.7 m -76.74 -3.86 40.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 108.293 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.464 ' CG2' ' HD2' ' A' ' 88' ' ' LYS . 8.7 mm -112.26 -43.9 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.84 -62.13 1.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.969 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.4 t -59.75 -57.66 11.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 108.31 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.41 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 8.0 m170 -46.83 -38.94 11.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.6 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.464 ' HD2' ' CG2' ' A' ' 84' ' ' ILE . 3.9 mtpp -60.01 -48.18 82.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 1.067 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -56.53 -39.76 73.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.347 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -63.73 -43.82 95.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.615 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.707 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -78.74 -15.77 58.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -86.31 24.07 1.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -143.92 47.42 1.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.548 ' HE2' HD22 ' A' ' 97' ' ' LEU . 7.6 ptmt -168.02 -45.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.482 ' CD1' HD11 ' A' ' 97' ' ' LEU . 13.1 mt -91.6 -31.91 15.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.4 p -122.35 5.2 9.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.383 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.72 116.27 9.11 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.72 -50.15 74.96 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -123.22 135.53 54.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.15 43.04 27.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.969 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 55.2 p -114.52 175.03 5.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.04 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.94 -7.23 44.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.36 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.673 ' O ' HG22 ' A' ' 22' ' ' VAL . 99.9 m -101.86 -46.94 4.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 108.288 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -117.64 83.52 17.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.616 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 44.7 Cg_endo -91.76 71.71 0.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.294 3.33 . . . . 0.0 109.606 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.956 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 5' ' ' ALA . 1.7 p-10 -53.85 -172.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.87 44.47 30.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.65 96.87 7.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.478 ' HD3' ' CG2' ' A' ' 21' ' ' THR . 0.0 OUTLIER -71.25 145.97 49.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.578 HD11 ' HB2' ' A' ' 24' ' ' PHE . 13.0 mt -125.89 125.96 69.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -165.11 91.85 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -114.93 -27.77 7.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.1 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.8 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.478 ' CG2' ' HD3' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -119.2 113.63 21.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.399 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.859 HG22 ' O ' ' A' ' 109' ' ' CYS . 59.6 t -100.89 132.01 47.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.7 t -96.12 133.46 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.578 ' HB2' HD11 ' A' ' 10' ' ' ILE . 43.5 t80 -128.99 151.81 49.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 23.5 t30 -140.32 145.29 37.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.45 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 16.7 m80 -86.32 -27.5 24.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.589 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.431 ' H ' ' HG ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -74.03 -1.77 21.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.008 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 84.7 m -92.65 -41.21 10.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -102.54 24.33 10.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.608 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -18.74 12.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.92 3.12 55.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.48 HG12 ' CB ' ' A' ' 36' ' ' ASP . 42.6 t -114.3 132.76 62.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -53.04 158.98 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.6 m -74.75 -42.0 59.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 108.287 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.8 p30 -67.32 -9.01 36.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.48 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.5 t0 -65.04 -18.56 65.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 91.7 m -130.71 -49.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 108.302 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -76.24 77.41 3.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.579 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.541 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 2.8 p80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.546 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 N--CA 1.449 -0.495 0 CA-C-O 118.896 -0.573 . . . . 0.0 109.829 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.78 -178.89 6.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.59 141.22 33.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.3 m -77.87 -30.73 50.99 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 35.6 p -93.02 20.62 6.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.37 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.9 m -66.95 156.71 35.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.4 153.56 7.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.98 15.86 22.73 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.591 1.182 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.1 m -129.44 -136.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.412 ' O ' ' HA ' ' A' ' 50' ' ' THR . 37.3 m-70 -89.57 46.41 1.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.546 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -81.89 65.66 7.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.3 mm -132.5 108.05 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.2 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.5 tttt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.9 p -176.38 163.63 2.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.947 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 65' ' ' VAL . 6.7 p -88.46 38.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 31.5 m120 -130.54 9.14 5.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 p -76.21 134.86 39.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.013 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.533 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 35.8 t-105 -95.29 17.15 14.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 107.997 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.615 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 17.9 t80 -123.08 -3.87 8.53 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.781 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 4.6 ttmt -108.83 -41.8 4.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 29.6 m -64.2 -9.5 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.8 t -100.81 -50.25 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -96.72 26.58 4.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.57 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.613 ' CB ' HG21 ' A' ' 82' ' ' THR . 1.2 m-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo . . . . . 0 N--CA 1.447 -1.242 0 N-CA-C 109.612 -0.957 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.613 HG21 ' CB ' ' A' ' 74' ' ' ASP . 40.3 p -126.38 -166.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.394 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.4 m -79.89 -2.42 43.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 108.262 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 88' ' ' LYS . 3.9 mm -112.45 -43.08 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.96 -60.87 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 8.7 t -61.85 -57.54 11.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.331 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.448 ' CG ' ' HB3' ' A' ' 101' ' ' LEU . 9.7 m170 -46.47 -34.39 4.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.598 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 84' ' ' ILE . 2.9 mmtp -66.23 -48.66 69.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -56.13 -40.7 74.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.3 mmtm -60.09 -39.1 84.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 98' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.242 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.913 HD22 ' HD3' ' A' ' 100' ' ' LYS . 0.8 OUTLIER -73.89 -21.41 60.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.518 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 13.0 ttmm -85.69 21.81 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -135.92 44.98 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.913 ' HD3' HD22 ' A' ' 97' ' ' LEU . 7.2 ptmm? -162.45 -48.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.448 ' HB3' ' CG ' ' A' ' 87' ' ' HIS . 13.6 mt -86.78 -32.14 20.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 36.6 p -118.53 7.81 11.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -63.6 116.57 9.42 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.27 -57.79 11.28 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -121.21 138.71 54.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.08 42.04 37.84 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.2 p -116.87 179.21 4.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.783 . . . . 0.0 110.03 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.43 -10.82 60.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.859 ' O ' HG22 ' A' ' 22' ' ' VAL . 98.7 m -97.07 -47.83 5.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 108.342 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -118.47 84.04 22.74 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.606 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 49.6 Cg_endo -92.71 70.81 0.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.283 3.322 . . . . 0.0 109.606 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.53 -179.17 5.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.58 39.7 78.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.147 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.57 112.61 21.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -71.1 144.84 50.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.692 HD11 ' HB2' ' A' ' 24' ' ' PHE . 11.2 mt -126.27 123.77 64.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.705 ' HB2' HG23 ' A' ' 21' ' ' THR . 5.7 t70 -158.97 91.52 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -116.11 -26.3 7.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.8 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.5 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.705 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -123.37 120.8 34.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 109' ' ' CYS . 76.0 t -101.34 149.73 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.7 t -111.96 144.0 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.692 ' HB2' HD11 ' A' ' 10' ' ' ILE . 37.1 t80 -134.31 146.76 50.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.426 ' OD1' ' CB ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -137.3 124.26 21.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -73.31 -18.97 61.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.581 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.8 p -85.52 10.5 12.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.961 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.426 ' CB ' ' OD1' ' A' ' 25' ' ' ASN . 19.3 m -106.08 -40.1 5.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.383 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -101.98 23.35 11.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.639 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -56.6 -19.48 16.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -89.0 -0.47 57.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.484 HG12 ' CB ' ' A' ' 36' ' ' ASP . 45.1 t -111.11 131.8 61.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.304 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -51.82 157.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.1 m -73.92 -41.58 61.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 108.29 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.8 p30 -66.88 -9.51 38.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.484 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.5 t70 -64.87 -18.54 65.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 81.1 m -131.23 -48.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 108.277 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -78.0 87.65 4.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.609 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.457 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 3.4 p80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.601 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 N--CA 1.449 -0.509 0 CA-C-O 118.899 -0.572 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -127.14 -175.94 3.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.411 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -72.5 143.11 33.56 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.6 m -79.03 -35.02 43.37 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 18.2 p -89.37 20.0 4.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 27.7 m -65.78 156.79 32.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.076 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -55.31 153.59 6.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.61 15.82 19.83 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 51' ' ' THR . 13.2 m -129.6 -136.62 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 50' ' ' THR . 41.1 m-70 -88.4 44.19 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.614 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -81.97 67.09 7.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.7 mm -133.28 108.59 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.2 mt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 72.4 tttt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.3 p -175.98 161.57 2.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.657 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.4 p -88.41 38.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 31.1 m120 -134.23 10.41 3.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 p -77.98 134.1 37.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.514 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 35.6 t-105 -93.11 14.09 18.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 108.022 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.63 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 8.1 t80 -120.79 -10.48 9.14 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.844 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.548 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 18.2 ttpp -98.98 -44.77 6.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.6 m -63.8 -7.88 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.5 t -104.59 -45.86 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -102.39 29.74 5.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.584 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.596 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo . . . . . 0 N--CA 1.448 -1.197 0 N-CA-C 109.631 -0.95 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.596 HG21 ' HB2' ' A' ' 74' ' ' ASP . 30.3 p -137.4 -165.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.396 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.8 m -78.56 -4.31 48.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 108.287 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 88' ' ' LYS . 3.9 mm -111.77 -43.53 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.91 -62.33 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 17.2 t -60.04 -55.84 29.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 108.332 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.422 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 7.2 m170 -47.15 -38.47 11.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.579 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 84' ' ' ILE . 8.6 mttt -60.42 -46.06 91.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -56.81 -40.65 76.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -63.29 -41.09 98.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.627 ' HB1' ' HB2' ' A' ' 98' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.738 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -88.09 -30.81 19.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.627 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 23.8 ttpp -79.3 8.02 6.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -120.33 44.58 2.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 107' ' ' SER . 6.5 ptmt -166.3 -46.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.422 ' HB3' ' ND1' ' A' ' 87' ' ' HIS . 15.4 mt -87.72 -29.77 20.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 28.6 p -122.04 4.59 9.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.36 127.54 45.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -71.7 -54.26 10.87 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -121.28 131.46 54.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.42 44.67 12.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 47.6 p -115.7 176.96 4.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 0.77 . . . . 0.0 110.037 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.27 -7.61 43.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.458 ' O ' HG22 ' A' ' 22' ' ' VAL . 85.6 m -102.75 -46.22 4.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 108.31 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -117.41 83.54 16.73 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.589 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 43.3 Cg_endo -91.67 73.61 0.71 Allowed 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.294 3.329 . . . . 0.0 109.598 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.99 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -56.64 -164.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.453 ' N ' ' OD2' ' A' ' 6' ' ' ASP . . . 80.97 -0.65 86.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 135.59 57.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.256 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.538 ' HG2' HG22 ' A' ' 23' ' ' VAL . 61.4 mttt -118.76 137.66 53.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mt -111.65 126.64 69.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.568 ' HB2' HG23 ' A' ' 21' ' ' THR . 2.9 t70 -161.36 86.24 0.67 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -113.7 -26.9 8.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.7 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.963 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.2 mt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.568 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.6 m -89.97 111.69 22.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.614 HG22 ' O ' ' A' ' 109' ' ' CYS . 75.0 t -96.84 125.16 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.538 HG22 ' HG2' ' A' ' 9' ' ' LYS . 91.3 t -88.49 146.64 5.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -138.87 147.82 42.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 49.5 t-20 -133.3 141.29 47.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.449 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 17.5 m80 -86.53 -20.45 27.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.601 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.79 6.93 16.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 92.0 m -103.23 -40.38 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 110.396 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -100.86 23.81 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.636 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -19.23 13.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.31 2.06 53.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.574 HG12 ' CB ' ' A' ' 36' ' ' ASP . 20.0 t -115.73 131.88 66.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -53.49 163.39 0.64 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.8 m -76.46 -42.94 41.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 108.269 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.5 p30 -65.87 -9.28 27.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.574 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.3 t0 -65.54 -17.6 64.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 93.9 m -132.02 -49.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.3 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -76.99 76.75 3.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.622 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.472 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 3.4 p80 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.656 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 . . . . . 0 N--CA 1.449 -0.522 0 CA-C-O 118.897 -0.573 . . . . 0.0 109.801 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.33 -176.46 3.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.406 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -76.95 140.11 24.41 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.6 m -74.78 -31.19 61.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.7 p -90.24 22.93 3.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 91.6 m -72.6 156.09 39.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.413 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -55.92 154.67 7.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.51 23.5 35.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.567 1.167 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 18.3 m -136.64 -130.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.413 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 49.6 m-70 -95.34 50.05 1.23 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 109.568 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -87.39 65.05 8.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.17 . . . . 0.0 109.337 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.7 mm -131.21 109.72 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.8 mt . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 m -63.58 160.91 15.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.011 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.0 p -85.97 41.66 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.236 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.413 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 1.9 m-20 -126.4 12.67 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.405 ' OG ' ' CB ' ' A' ' 70' ' ' LYS . 94.7 p -75.21 133.09 41.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.517 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 39.9 t-105 -96.74 16.27 19.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 108.022 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 11.7 t80 -123.92 -4.08 8.09 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.848 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.571 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 9.6 ttpp -107.83 -42.56 4.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 34.8 m -64.27 -8.36 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.0 t -102.35 -43.37 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -106.22 34.45 3.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.596 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.571 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 N--CA 1.447 -1.233 0 N-CA-C 109.608 -0.959 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 46.9 p -123.46 -165.61 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.424 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.7 m -82.85 1.9 36.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 108.298 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.454 HD13 ' HA ' ' A' ' 84' ' ' ILE . 9.6 mm -114.7 -43.48 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 m -53.52 -61.4 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.8 t -61.69 -58.55 7.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 108.281 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.42 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 7.2 m170 -45.56 -39.24 7.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.62 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.536 ' HE3' HG21 ' A' ' 102' ' ' THR . 9.6 mmtp -59.6 -49.58 77.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -54.39 -40.34 68.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.381 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -63.51 -44.6 93.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.662 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.662 HD12 ' HB2' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -79.61 -21.78 44.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -85.96 22.03 1.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -142.27 46.83 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 107' ' ' SER . 7.4 ptmt -167.86 -44.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.355 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.481 ' CD1' HD11 ' A' ' 97' ' ' LEU . 12.7 mt -92.02 -33.42 14.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.536 HG21 ' HE3' ' A' ' 88' ' ' LYS . 21.6 p -121.35 7.81 10.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -62.62 113.21 5.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -56.25 -53.05 61.86 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -124.6 135.71 53.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.122 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.41 46.22 12.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 54.2 p -120.46 -179.32 3.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.16 -4.05 33.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.614 ' O ' HG22 ' A' ' 22' ' ' VAL . 92.5 m -105.2 -48.49 3.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 108.302 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -117.75 82.84 17.02 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.629 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 43.9 Cg_endo -92.32 69.49 0.75 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.26 3.307 . . . . 0.0 109.575 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.984 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' ALA . 2.7 p-10 -53.63 -172.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.12 39.53 62.76 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.51 112.93 24.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -90.79 133.35 35.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.414 HD11 ' HB2' ' A' ' 24' ' ' PHE . 19.2 mt -114.12 115.69 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.638 ' HB2' HG23 ' A' ' 21' ' ' THR . 11.7 t70 -151.34 93.31 1.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -115.17 -26.73 7.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.9 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.0 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.638 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.4 m -109.94 111.59 23.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.376 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 109' ' ' CYS . 72.6 t -91.46 141.63 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.3 t -106.78 135.11 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.363 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.414 ' HB2' HD11 ' A' ' 10' ' ' ILE . 38.7 t80 -127.21 148.2 50.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -135.34 125.68 26.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -74.32 -9.65 58.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.624 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 p -93.3 15.3 15.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.959 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.8 m -113.71 -37.71 4.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.381 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -101.98 23.17 11.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.636 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -19.6 15.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -87.14 0.08 55.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.484 HG12 ' CB ' ' A' ' 36' ' ' ASP . 34.6 t -113.73 130.38 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -52.09 158.94 0.99 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.1 m -74.42 -41.76 60.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 108.304 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -67.47 -8.96 37.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.484 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.3 t70 -65.43 -18.15 65.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 95.2 m -130.77 -48.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 108.269 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -77.37 86.28 3.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.597 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 5.3 p80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.627 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 . . . . . 0 N--CA 1.45 -0.462 0 CA-C-O 118.89 -0.576 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -122.52 -178.45 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.41 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -77.29 139.68 23.56 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.6 m -74.66 -31.78 62.04 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.6 p -90.26 22.22 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 87.7 m -71.44 155.43 40.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.412 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -55.0 152.09 8.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.78 25.94 52.96 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.5 m -138.58 -132.76 0.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 47.9 m-70 -92.97 49.69 1.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.564 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -90.69 67.0 6.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.3 mm -133.02 108.44 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 63.7 mt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 tttp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.5 155.12 1.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.996 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 65' ' ' VAL . 4.3 p -80.76 3.79 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.107 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.402 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 29.0 m120 -97.37 9.57 41.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 p -75.68 134.08 40.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.538 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 29.0 t-105 -96.42 14.88 22.96 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.642 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 13.4 t80 -119.84 -7.32 10.01 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.828 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.571 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 11.4 ttmm -101.16 -43.74 5.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 26.4 m -64.75 -9.09 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.3 t -100.83 -57.25 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -91.62 24.4 3.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.558 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.761 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 N--CA 1.448 -1.202 0 N-CA-C 109.607 -0.959 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.761 HG21 ' CB ' ' A' ' 74' ' ' ASP . 25.4 p -138.77 -165.0 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.41 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m -77.5 -5.68 50.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 108.346 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 88' ' ' LYS . 9.4 mm -110.14 -44.01 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.69 -60.57 3.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.969 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.4 t -60.23 -58.0 10.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.272 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.4 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 8.8 m170 -47.1 -38.14 10.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.585 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -61.32 -47.88 83.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -55.49 -40.16 71.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -62.99 -41.22 99.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.545 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.729 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -76.23 -19.98 57.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -86.37 23.8 1.51 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -142.92 47.76 1.52 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.421 ' HE2' HD22 ' A' ' 97' ' ' LEU . 7.1 ptmt -167.91 -45.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.538 ' CD1' HD11 ' A' ' 97' ' ' LEU . 19.3 mt -90.52 -30.7 17.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.8 p -122.35 0.87 9.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.368 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.56 119.72 17.76 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.3 m -62.52 -49.67 74.42 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.95 137.36 54.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.25 40.43 49.49 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 35.4 p -110.92 176.19 5.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.4 -5.12 37.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.492 ' O ' HG22 ' A' ' 22' ' ' VAL . 93.5 m -103.88 -46.17 4.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 108.303 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -117.44 83.76 17.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.591 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 49.0 Cg_endo -90.99 72.16 1.01 Allowed 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.276 3.317 . . . . 0.0 109.614 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 110.016 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -52.48 -175.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.29 0.78 87.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 24' ' ' PHE . . . -61.16 138.19 58.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.456 ' HG2' HG22 ' A' ' 23' ' ' VAL . 19.4 mttp -121.13 136.63 54.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.454 HD11 ' HB2' ' A' ' 24' ' ' PHE . 8.7 mt -111.19 131.16 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.445 ' HB2' HG23 ' A' ' 21' ' ' THR . 3.7 t70 -165.07 92.78 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -115.54 -27.34 7.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.8 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.328 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.445 HG23 ' HB2' ' A' ' 11' ' ' ASP . 2.6 m -108.81 112.15 24.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.455 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 109' ' ' CYS . 77.1 t -93.93 130.9 42.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.456 HG22 ' HG2' ' A' ' 9' ' ' LYS . 65.3 t -94.63 130.59 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.458 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 35.6 t80 -126.0 143.5 51.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -127.71 126.97 42.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -74.34 -19.25 60.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.576 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.0 p -86.95 14.12 7.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 92.7 m -110.06 -33.72 6.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -105.35 22.21 15.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.572 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -19.04 14.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.3 -2.01 57.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.577 HG12 ' CB ' ' A' ' 36' ' ' ASP . 12.0 t -114.02 134.94 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -55.52 161.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.9 m -75.41 -41.66 55.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 108.256 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -67.05 -8.64 31.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.577 ' CB ' HG12 ' A' ' 32' ' ' VAL . 2.2 t70 -64.72 -18.94 65.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 72.3 m -131.39 -49.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 108.309 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -73.4 70.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.598 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 1.9 p80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.591 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 N--CA 1.449 -0.516 0 CA-C-O 118.913 -0.565 . . . . 0.0 109.855 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.15 -176.22 2.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.401 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -73.63 149.49 41.81 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.3 m -79.78 -30.44 40.65 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.3 p -89.81 21.45 3.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.368 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 27.9 m -70.04 156.35 39.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.341 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -56.62 154.4 8.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.22 19.98 26.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.4 m -132.74 -131.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -94.58 48.44 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.616 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -85.16 65.94 9.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.0 mm -133.06 119.04 35.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.8 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.916 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.92 161.44 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.989 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.0 p -85.57 11.87 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -106.85 9.21 30.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.1 p -75.48 135.48 40.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.524 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 33.2 t-105 -95.58 14.3 23.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 108.012 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.645 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 5.2 t80 -119.88 -9.91 9.6 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.857 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.589 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 16.1 ttpp -98.44 -45.06 6.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 29.3 m -63.03 -8.89 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 83.9 t -105.31 -42.12 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -107.14 34.32 3.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.629 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.589 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo . . . . . 0 N--CA 1.447 -1.237 0 N-CA-C 109.553 -0.98 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.498 HG21 ' HB3' ' A' ' 74' ' ' ASP . 35.8 p -138.83 -166.54 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.444 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.5 m -77.72 -4.77 47.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 108.304 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 88' ' ' LYS . 3.2 mm -111.53 -43.66 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.82 -62.43 1.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.975 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 17.7 t -60.21 -56.33 22.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 108.315 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.416 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 8.8 m170 -46.49 -38.5 9.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.592 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 84' ' ' ILE . 10.8 mtpt -60.06 -46.27 90.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -56.85 -40.89 76.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -62.02 -40.07 94.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.445 ' HB1' ' HB2' ' A' ' 98' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.909 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -72.89 -21.34 60.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.445 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 24.4 ttpp -85.3 16.55 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.08 44.35 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.881 ' HD2' HD22 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -163.33 -47.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.416 ' HB3' ' ND1' ' A' ' 87' ' ' HIS . 11.0 mt -88.24 -31.02 19.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.9 p -121.75 8.66 10.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.437 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.57 129.07 33.31 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.96 -57.3 5.18 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -120.39 139.21 53.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.26 39.22 52.67 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 59.9 p -112.64 179.87 3.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 0.795 . . . . 0.0 110.061 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.44 -2.76 30.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.703 ' O ' HG22 ' A' ' 22' ' ' VAL . 86.5 m -105.66 -47.99 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 108.303 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -118.09 82.74 18.24 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 43.7 Cg_endo -92.35 70.27 0.71 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.306 3.337 . . . . 0.0 109.638 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 5' ' ' ALA . 0.8 OUTLIER -55.42 -167.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.74 33.81 71.63 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.441 1.088 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.424 ' O ' ' HA ' ' A' ' 23' ' ' VAL . . . -89.13 137.12 32.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -117.63 135.5 53.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.1 mt -113.36 124.72 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.599 ' HB2' HG23 ' A' ' 21' ' ' THR . 8.7 t0 -156.65 90.1 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -115.41 -25.15 8.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 71.9 mt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.5 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.599 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.1 m -89.65 111.64 22.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.358 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 109' ' ' CYS . 55.0 t -91.9 137.71 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 95.8 t -103.35 134.43 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.075 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -124.07 169.2 11.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.046 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -151.81 125.4 8.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -76.78 -17.26 59.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.592 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.2 p -88.26 15.81 7.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.3 m -114.27 -32.13 6.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.401 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -107.01 22.34 16.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.607 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.55 -18.69 12.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.75 -2.63 58.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.566 HG12 ' CB ' ' A' ' 36' ' ' ASP . 21.6 t -112.47 129.18 68.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -51.11 159.83 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.7 m -74.32 -40.8 61.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 108.356 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -68.46 -8.17 38.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.566 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.6 t70 -66.1 -18.09 65.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 87.2 m -131.5 -48.88 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 108.333 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -76.6 79.24 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.618 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.445 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 4.3 p80 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.582 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 . . . . . 0 N--CA 1.45 -0.46 0 CA-C-O 118.899 -0.572 . . . . 0.0 109.818 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -120.44 -177.06 3.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.407 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -74.91 143.97 31.76 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.2 m -78.88 -32.03 45.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.2 p -90.79 20.21 4.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 26.9 m -67.38 155.83 37.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.75 154.43 6.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.44 16.13 19.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.1 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 51' ' ' THR . 13.7 m -130.07 -134.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.421 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 41.1 m-70 -90.97 45.52 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.579 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -85.98 67.8 10.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.4 mm -132.74 109.26 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.947 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.1 mttm . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.0 p -176.31 164.95 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 65' ' ' VAL . 4.5 p -88.53 39.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.421 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 29.5 m120 -132.71 9.13 4.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.74 134.39 38.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.03 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.532 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 33.2 t-105 -93.52 15.78 15.2 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.612 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 14.5 t80 -122.23 -2.99 9.01 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.822 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 5.4 ttmt -107.39 -42.77 4.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.3 m -64.43 -8.25 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.6 t -102.17 -53.75 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -94.24 25.32 3.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 109.598 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.74 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo . . . . . 0 N--CA 1.447 -1.211 0 N-CA-C 109.59 -0.965 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.74 HG21 ' CB ' ' A' ' 74' ' ' ASP . 28.1 p -137.51 -165.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.386 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.3 m -77.69 -6.62 54.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 0.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.42 ' O ' ' HB2' ' A' ' 88' ' ' LYS . 2.8 mm -109.99 -45.03 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.37 -61.8 2.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.04 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.9 t -58.58 -55.63 32.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 108.319 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.434 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 10.0 m170 -47.31 -33.91 6.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.59 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.472 ' HE3' ' CB ' ' A' ' 102' ' ' THR . 0.0 OUTLIER -61.85 -46.37 89.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -55.53 -41.11 72.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -64.35 -40.06 95.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.469 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.744 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -68.98 -16.45 63.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -86.19 24.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -142.08 47.4 1.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.349 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.731 ' HD2' HD22 ' A' ' 97' ' ' LEU . 8.8 ptpt -167.38 -47.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.5 ' CD1' HD11 ' A' ' 97' ' ' LEU . 15.3 mt -88.76 -32.59 17.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.472 ' CB ' ' HE3' ' A' ' 88' ' ' LYS . 23.9 p -121.61 13.59 10.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.436 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -70.56 130.93 21.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.1 -52.48 12.48 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.741 ' HD2' ' OXT' ' A' ' 112' ' ' SER . 1.4 tppp? -118.71 130.71 55.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.03 44.16 19.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 66.2 p -112.29 172.97 6.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.774 . . . . 0.0 110.011 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.76 -7.38 39.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.549 ' O ' HG22 ' A' ' 22' ' ' VAL . 84.7 m -102.95 -45.81 4.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 108.315 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -117.01 83.88 15.46 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.567 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 44.1 Cg_endo -91.43 71.55 0.93 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.321 3.347 . . . . 0.0 109.581 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.741 ' OXT' ' HD2' ' A' ' 105' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.956 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.78 -164.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.66 27.83 73.56 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.54 138.54 36.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 0.798 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.895 ' HD3' HG22 ' A' ' 23' ' ' VAL . 12.4 mmtm -114.85 133.74 55.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.5 mt -115.46 125.69 72.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.5 ' HB2' HG23 ' A' ' 21' ' ' THR . 5.6 t0 -160.94 90.51 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -115.16 -26.1 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.3 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.247 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.8 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.5 HG23 ' HB2' ' A' ' 11' ' ' ASP . 0.2 OUTLIER -82.88 113.88 20.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 110.399 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.2 t -98.86 146.28 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.895 HG22 ' HD3' ' A' ' 9' ' ' LYS . 84.5 t -107.9 148.82 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -142.95 132.17 23.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -114.13 124.24 51.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -73.89 -17.14 61.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.576 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.4 p -88.9 13.97 11.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.8 m -111.09 -35.87 5.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.375 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -101.96 23.75 11.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.641 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -56.2 -21.7 24.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.96 -1.54 56.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.447 HG12 ' CB ' ' A' ' 36' ' ' ASP . 59.8 t -112.27 126.12 69.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -50.26 158.02 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.9 m -73.08 -41.13 64.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 108.286 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -67.99 -8.71 39.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.447 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.9 t70 -65.93 -18.49 65.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 97.8 m -130.77 -48.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 108.344 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -77.37 81.23 3.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.58 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 2.6 p80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.585 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 118.879 -0.581 . . . . 0.0 109.837 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.79 178.57 7.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.402 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -70.52 137.92 28.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.104 . . . . 0.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.8 m -74.98 -28.64 60.64 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.5 p -92.29 23.51 3.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.381 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 91.1 m -73.1 155.56 39.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.435 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -54.92 153.68 6.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.11 25.35 46.57 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.7 m -138.8 -132.38 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -94.02 50.86 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.585 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -90.17 64.45 6.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.4 ' CG1' ' O ' ' A' ' 66' ' ' ASN . 3.3 mm -133.13 109.47 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.9 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.53 161.58 2.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.97 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 65' ' ' VAL . 4.4 p -83.91 8.19 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.4 ' O ' ' CG1' ' A' ' 57' ' ' ILE . 28.7 m120 -102.37 13.05 35.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.4 p -78.32 132.62 37.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.526 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 32.8 t-105 -95.19 14.78 21.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 107.973 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.606 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 10.8 t80 -121.67 -2.73 9.33 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.78 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 19.0 ttpp -106.29 -42.39 5.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.0 m -66.35 -6.42 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 75.2 t -103.78 -44.89 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -107.93 35.21 3.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.615 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.848 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo . . . . . 0 N--CA 1.447 -1.208 0 N-CA-C 109.629 -0.95 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.848 HG21 ' HB2' ' A' ' 74' ' ' ASP . 25.6 p -91.05 -157.86 0.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.423 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 87' ' ' HIS . 3.9 m -75.37 -53.67 8.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 108.324 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.483 ' O ' ' CG ' ' A' ' 88' ' ' LYS . 0.8 OUTLIER -64.08 -38.25 81.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -53.49 -61.43 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.017 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 10.4 t -64.11 -59.27 4.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 108.315 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.453 ' HB2' ' O ' ' A' ' 83' ' ' CYS . 12.7 m170 -43.94 -38.42 3.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.572 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 84' ' ' ILE . 3.7 mmtm -59.24 -50.53 73.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -57.72 -39.94 78.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -59.67 -40.67 88.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.53 ' HB1' ' HB2' ' A' ' 98' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.896 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER -73.83 -22.76 59.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.53 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 10.3 ttmm -85.48 22.69 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -132.95 50.45 2.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.421 ' HD2' HD22 ' A' ' 97' ' ' LEU . 10.5 ptpt -173.04 -41.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.2 mt -92.23 -32.32 15.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.468 ' O ' ' C ' ' A' ' 103' ' ' GLY . 6.1 p -133.14 9.81 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.424 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 104' ' ' CYS . . . -31.46 -54.36 0.32 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.5 OUTLIER 89.7 -41.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -132.66 96.87 3.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 89.03 46.35 4.5 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 54.5 p -104.65 -170.58 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 110.001 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.06 2.11 25.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.339 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.454 ' O ' ' HD3' ' A' ' 111' ' ' PRO . 93.2 m -112.92 -49.66 2.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 108.274 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -116.93 84.45 16.04 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.578 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 43.4 Cg_endo -92.33 64.09 0.8 Allowed 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.376 3.384 . . . . 0.0 109.578 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.0 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 7' ' ' GLY . 1.7 t70 -55.81 168.31 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.443 ' N ' ' CG ' ' A' ' 6' ' ' ASP . . . 73.66 46.67 23.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.06 115.15 28.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 0.9 OUTLIER -89.29 136.84 32.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.502 HD11 ' HB2' ' A' ' 24' ' ' PHE . 11.9 mt -119.01 123.41 71.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.569 ' HB2' HG23 ' A' ' 21' ' ' THR . 10.2 t0 -158.24 95.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -117.73 -27.95 6.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.0 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.343 179.954 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.3 mt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.569 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.7 m -121.95 111.84 17.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.389 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.669 HG22 ' O ' ' A' ' 109' ' ' CYS . 60.7 t -91.81 138.09 20.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.1 t -102.85 126.66 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.502 ' HB2' HD11 ' A' ' 10' ' ' ILE . 17.5 t80 -119.5 178.94 4.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -168.95 126.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -74.39 -15.59 60.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.57 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.01 10.4 14.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.3 m -110.33 -31.2 7.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.38 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -110.2 20.39 17.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.636 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -18.38 14.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.518 ' OD1' HG23 ' A' ' 32' ' ' VAL . 1.5 p-10 -86.68 -2.64 58.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.523 HG12 ' CB ' ' A' ' 36' ' ' ASP . 15.0 t -109.42 133.31 55.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -53.56 159.96 1.39 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 m -75.38 -40.3 58.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 108.323 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.3 p30 -66.54 -9.87 39.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.523 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.2 t70 -64.6 -18.61 65.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.5 m -134.93 -48.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 108.323 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -74.06 73.39 1.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.611 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.451 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 3.6 p80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.633 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 . . . . . 0 N--CA 1.449 -0.519 0 CA-C-O 118.88 -0.581 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -114.59 -177.18 3.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.431 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -70.28 150.08 48.12 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.1 m -81.19 -30.62 34.26 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.2 p -89.42 20.15 4.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 24.3 m -67.96 155.87 38.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.412 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.32 154.01 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.8 18.86 26.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.2 m -131.67 -132.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.418 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 20.2 m80 -93.43 47.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.579 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -87.37 63.9 7.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.2 mm -131.56 108.52 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 67.3 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -176.15 161.64 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.8 p -88.8 38.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 29.5 m120 -133.41 9.88 4.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.74 134.83 37.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.519 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 32.5 t-105 -91.81 13.33 18.64 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.626 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 10.4 t80 -119.42 -9.2 9.92 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.823 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 5.3 ttmt -100.16 -44.73 5.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.7 m -64.39 -7.99 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.3 t -102.9 -52.05 8.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -96.04 25.66 4.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.615 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.736 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo . . . . . 0 N--CA 1.447 -1.228 0 N-CA-C 109.588 -0.966 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.736 HG21 ' CB ' ' A' ' 74' ' ' ASP . 30.0 p -137.14 -165.78 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.7 m -77.82 -2.57 37.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 108.306 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 88' ' ' LYS . 3.4 mm -113.7 -44.34 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.58 -61.73 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.033 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 8.2 t -58.9 -57.33 13.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 108.268 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.429 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 9.0 m170 -46.62 -39.28 10.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.604 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' ILE . 1.3 mmtt -60.51 -46.04 91.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -58.06 -41.19 82.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -61.16 -36.39 79.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.51 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.813 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -74.06 -21.17 60.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.23 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.427 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 2.3 ttpt -85.77 23.2 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -138.6 47.37 1.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 107' ' ' SER . 6.2 ptmt -167.32 -42.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.429 ' HB3' ' ND1' ' A' ' 87' ' ' HIS . 12.3 mt -91.65 -33.9 14.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 103' ' ' GLY . 19.3 p -127.88 8.48 6.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.372 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.547 ' O ' ' CB ' ' A' ' 104' ' ' CYS . . . -33.06 -57.67 0.5 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.547 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 1.7 t 92.51 -39.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.28 105.49 7.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.63 44.01 13.71 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 40.0 p -102.28 -172.17 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.794 . . . . 0.0 110.044 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -78.46 0.25 26.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.669 ' O ' HG22 ' A' ' 22' ' ' VAL . 88.2 m -108.68 -48.68 3.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 108.252 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -118.04 83.97 20.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.648 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 47.9 Cg_endo -92.71 68.1 0.64 Allowed 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.304 3.336 . . . . 0.0 109.589 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.952 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -56.23 -165.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.37 28.56 72.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.443 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -86.34 136.03 33.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 0.758 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.546 ' HG2' HG22 ' A' ' 23' ' ' VAL . 9.8 mtmm -117.07 136.34 53.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.457 HD11 ' HB2' ' A' ' 24' ' ' PHE . 7.5 mt -112.77 125.47 70.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.555 ' HB2' HG23 ' A' ' 21' ' ' THR . 6.5 t70 -159.78 91.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -115.2 -27.04 7.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.3 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.2 mt . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.555 HG23 ' HB2' ' A' ' 11' ' ' ASP . 2.2 m -102.91 113.0 26.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 109' ' ' CYS . 72.6 t -93.97 129.67 43.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.546 HG22 ' HG2' ' A' ' 9' ' ' LYS . 57.6 t -95.03 143.67 11.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.457 ' HB2' HD11 ' A' ' 10' ' ' ILE . 64.1 t80 -133.1 147.77 52.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -132.26 124.02 28.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.355 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -74.74 -17.54 60.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.616 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.0 p -88.04 13.95 10.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.4 m -110.8 -35.67 5.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.413 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.2 m80 -102.42 23.61 11.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.6 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -19.04 13.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -88.08 0.99 55.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.475 HG12 ' CB ' ' A' ' 36' ' ' ASP . 43.1 t -115.73 131.39 68.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -53.59 159.66 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.4 m -74.54 -42.15 59.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 108.256 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.9 p30 -67.04 -9.28 37.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.475 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.5 t70 -65.11 -18.66 65.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 91.7 m -130.07 -48.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 108.268 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -76.62 78.25 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.569 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.494 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 3.1 p80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.607 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 118.865 -0.588 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -118.82 179.36 4.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -74.58 146.71 36.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.9 m -79.9 -32.07 40.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.6 p -89.11 19.62 4.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.9 m -67.21 156.27 36.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.45 153.53 9.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.42 17.41 25.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.9 m -130.13 -133.44 0.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.409 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 20.6 m80 -91.82 47.28 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.591 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -85.12 65.56 9.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.7 mm -132.63 109.01 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 26.4 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.24 158.78 2.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.95 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' ' 65' ' ' VAL . 4.6 p -82.55 6.45 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 30.7 m120 -101.06 9.25 42.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.5 p -74.21 134.72 42.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.956 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.54 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 29.0 t-105 -97.37 15.45 22.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.019 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.653 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 7.8 t80 -121.36 -9.16 9.09 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.817 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.557 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 3.6 ttmm -100.0 -44.22 6.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.7 m -63.46 -9.7 5.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.4 t -99.36 -56.5 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -91.69 24.15 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.586 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.754 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo . . . . . 0 N--CA 1.447 -1.241 0 N-CA-C 109.621 -0.954 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.754 HG21 ' CB ' ' A' ' 74' ' ' ASP . 35.0 p -137.48 -165.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.9 m -77.53 -5.42 50.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 108.341 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 88' ' ' LYS . 8.7 mm -110.0 -43.71 5.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.85 -62.0 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.6 t -59.2 -58.06 10.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 108.28 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.438 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 11.6 m170 -47.09 -39.21 12.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.658 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 84' ' ' ILE . 10.0 mmtm -59.95 -48.27 82.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -56.08 -40.33 73.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -62.22 -43.09 99.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.597 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.988 HD22 ' HD2' ' A' ' 100' ' ' LYS . 0.3 OUTLIER -72.57 -13.87 61.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -86.03 23.98 1.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -142.76 49.89 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.988 ' HD2' HD22 ' A' ' 97' ' ' LEU . 4.2 ptpp? -168.71 -45.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.504 ' CD1' HD11 ' A' ' 97' ' ' LEU . 12.8 mt -95.36 -27.39 15.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.1 p -126.49 5.68 6.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.415 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.58 113.63 6.05 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.1 m -54.92 -53.38 56.26 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.3 137.85 54.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.92 42.41 30.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.13 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.7 p -115.91 177.53 4.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.751 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.98 -4.09 33.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.519 ' O ' HG22 ' A' ' 22' ' ' VAL . 87.5 m -104.72 -47.38 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 108.32 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -117.59 83.43 17.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.626 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 43.6 Cg_endo -92.02 71.05 0.78 Allowed 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.273 3.315 . . . . 0.0 109.578 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.547 ' CB ' ' ND2' ' A' ' 25' ' ' ASN . 0.6 OUTLIER -57.6 -158.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.443 ' N ' ' OD2' ' A' ' 6' ' ' ASP . . . 66.09 21.52 69.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.46 106.39 16.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 0.74 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -93.48 131.99 38.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.7 mt -109.95 120.56 61.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.454 ' HB2' HG23 ' A' ' 21' ' ' THR . 2.5 t70 -154.01 89.2 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -116.67 -26.79 6.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.8 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 179.945 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.4 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.454 HG23 ' HB2' ' A' ' 11' ' ' ASP . 0.2 OUTLIER -74.35 113.48 11.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 110.422 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 109' ' ' CYS . 56.3 t -99.22 131.34 46.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.244 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.3 t -94.91 147.07 6.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -141.22 150.31 42.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.547 ' ND2' ' CB ' ' A' ' 6' ' ' ASP . 3.6 t-20 -133.51 126.89 32.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -73.44 -14.54 61.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.625 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.6 p -88.43 11.56 16.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 91.4 m -109.22 -34.11 6.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -105.64 23.19 14.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.644 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -20.17 20.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.33 -1.99 58.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.464 HG12 ' CB ' ' A' ' 36' ' ' ASP . 41.9 t -111.22 129.89 65.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -52.07 160.32 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.2 m -75.54 -41.29 55.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 108.328 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -67.85 -8.92 40.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.464 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.6 t70 -65.84 -18.44 65.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 95.3 m -131.39 -48.58 0.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 108.322 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -78.05 73.39 4.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.616 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 7.4 p80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.61 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 . . . . . 0 N--CA 1.449 -0.491 0 CA-C-O 118.887 -0.578 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.72 -175.64 3.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.406 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -75.21 144.44 32.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.9 m -79.21 -31.79 43.81 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.353 -0.981 . . . . 0.0 108.353 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.6 p -89.04 19.67 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.44 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 31.5 m -67.37 156.17 37.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -56.3 152.88 10.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.07 21.0 36.8 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 19.0 m -133.45 -133.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.406 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 53.4 m-70 -91.29 48.35 1.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.608 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -87.89 65.02 8.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.6 mm -132.49 109.96 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 67.0 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 mttt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.42 152.99 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.951 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 65' ' ' VAL . 3.7 p -79.32 2.04 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 29.3 m120 -95.77 11.13 34.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 p -76.16 134.36 39.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.951 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.522 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 33.2 t-105 -95.22 15.06 20.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 108.051 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.633 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 13.6 t80 -121.06 -8.18 9.35 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.842 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.544 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 4.8 ttmm -99.26 -43.88 6.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.6 m -64.82 -8.96 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 88.0 t -103.08 -46.14 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -106.1 34.31 3.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.617 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.857 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo . . . . . 0 N--CA 1.447 -1.245 0 N-CA-C 109.641 -0.946 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.857 HG21 ' HB2' ' A' ' 74' ' ' ASP . 40.3 p -129.59 -163.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.389 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.5 m -77.84 -2.04 34.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 108.318 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 88' ' ' LYS . 19.7 mm -112.56 -44.51 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.32 -59.8 4.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 7.8 t -62.03 -58.6 7.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 108.276 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -46.84 -35.93 6.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.544 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 84' ' ' ILE . 3.1 mmtp -62.52 -49.91 73.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -57.4 -38.97 75.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -60.04 -43.84 95.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -89.22 -24.27 22.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -85.41 21.84 1.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.7 mmtm -137.73 43.75 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 107' ' ' SER . 5.2 ptmt -163.53 -47.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.1 mt -89.81 -29.28 18.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.9 p -122.73 2.83 9.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.403 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.89 124.76 36.65 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.5 m -70.74 -47.09 61.53 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -124.32 129.59 51.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.71 44.66 14.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 110.966 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 95.2 p -112.62 174.49 5.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 110.019 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.67 -8.5 42.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.582 ' O ' HG22 ' A' ' 22' ' ' VAL . 92.3 m -102.03 -46.05 4.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 108.295 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -117.03 83.8 15.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.612 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 44.7 Cg_endo -91.32 71.1 1.0 Allowed 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.296 3.331 . . . . 0.0 109.548 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.031 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -162.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.55 29.54 72.92 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 111.062 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.92 135.71 37.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -107.49 129.18 54.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.8 mt -119.09 120.36 63.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.535 ' HB2' HG23 ' A' ' 21' ' ' THR . 10.3 t70 -164.11 93.85 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -116.0 -25.86 7.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.6 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.9 mt . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.535 HG23 ' HB2' ' A' ' 11' ' ' ASP . 0.6 OUTLIER -109.25 116.91 32.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 109' ' ' CYS . 69.3 t -101.8 141.23 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.7 t -106.73 151.58 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -141.15 144.8 35.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -127.64 124.14 37.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -73.9 -18.36 60.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.614 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.8 p -88.47 14.44 9.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.0 m -108.49 -37.44 5.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -100.98 24.22 9.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.65 -22.02 20.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.81 -0.62 55.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.508 HG12 ' CB ' ' A' ' 36' ' ' ASP . 33.8 t -114.36 133.27 60.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -55.57 161.85 1.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.0 m -75.47 -43.45 49.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 108.322 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -64.63 -10.27 25.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.508 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.2 t70 -64.57 -17.95 64.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 90.3 m -130.75 -49.86 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 108.321 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -74.97 57.3 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.618 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.2 p80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.616 -180.0 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 118.889 -0.577 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.64 -175.94 4.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.439 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -78.7 150.46 34.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 18.3 m -80.32 -31.0 38.18 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 16.4 p -89.47 22.91 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.434 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 28.2 m -70.42 155.61 40.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.375 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.96 153.37 8.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.55 24.53 39.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 20.0 m -136.78 -130.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.444 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 52.3 m-70 -94.39 49.5 1.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.601 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -89.46 50.54 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.565 ' O ' HD23 ' A' ' 58' ' ' LEU . 1.6 mm -119.53 141.48 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 57' ' ' ILE . 36.3 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.0 tptp . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.05 155.25 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 65' ' ' VAL . 4.9 p -88.48 40.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.502 ' O ' ' CG1' ' A' ' 57' ' ' ILE . 31.1 m120 -133.51 9.96 4.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.42 140.92 45.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.991 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.511 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 37.9 t-105 -95.42 14.35 22.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 108.027 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.63 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 5.6 t80 -120.82 -15.23 8.39 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.807 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 13.9 ttmm -94.92 -43.94 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.1 m -64.59 -8.23 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.2 t -104.59 -53.17 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -95.07 29.58 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.613 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.747 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.404 ' CB ' ' HB2' ' A' ' 85' ' ' SER . 13.7 Cg_endo . . . . . 0 N--CA 1.447 -1.208 0 N-CA-C 109.582 -0.969 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.747 HG21 ' CB ' ' A' ' 74' ' ' ASP . 41.4 p -130.95 -163.98 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.5 m -78.44 -3.44 43.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.289 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 88' ' ' LYS . 4.4 mm -111.49 -44.38 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.404 ' HB2' ' CB ' ' A' ' 81' ' ' PRO . 0.7 OUTLIER -53.03 -60.48 3.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.002 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.5 t -61.41 -58.44 8.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 108.286 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.421 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 12.4 m170 -46.88 -35.9 6.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 84' ' ' ILE . 2.9 mtpt -62.82 -49.33 75.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -56.65 -40.43 75.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -61.46 -40.6 95.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.468 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.339 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.892 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER -74.6 -20.99 59.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -85.38 20.12 2.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.21 44.71 2.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.769 ' HD2' HD22 ' A' ' 97' ' ' LEU . 8.4 ptpt -163.11 -47.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.421 ' HB3' ' ND1' ' A' ' 87' ' ' HIS . 10.4 mt -90.09 -33.01 16.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 29.3 p -119.55 5.23 11.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.1 115.71 8.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.44 -51.02 71.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.6 141.01 52.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.27 40.04 56.33 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 30.7 p -114.21 -178.7 3.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.779 . . . . 0.0 110.035 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.18 -5.46 44.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.786 ' O ' HG22 ' A' ' 22' ' ' VAL . 85.0 m -103.45 -46.76 4.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.477 1.111 . . . . 0.0 108.264 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -117.96 83.25 18.62 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.592 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 43.9 Cg_endo -92.21 70.5 0.75 Allowed 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.365 3.377 . . . . 0.0 109.607 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.017 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.4 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 1' ' ' VAL . 0.3 OUTLIER 58.11 115.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.409 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 0.5 OUTLIER -54.5 119.58 21.72 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -41.23 163.48 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.3 3.333 . . . . 0.0 109.572 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -87.42 151.55 22.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.428 ' CG ' ' N ' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -57.33 -162.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.428 ' N ' ' CG ' ' A' ' 6' ' ' ASP . . . 68.81 28.73 72.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.422 1.076 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' A' ' 23' ' ' VAL . . . -88.46 136.83 32.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.539 ' HG2' HG22 ' A' ' 23' ' ' VAL . 32.7 mttp -118.1 139.82 50.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.093 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.419 HG22 ' CGD' ' A' ' 116' ' ' HEC . 10.8 mt -114.03 133.11 61.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.467 ' HB2' HG23 ' A' ' 21' ' ' THR . 2.8 t70 -163.07 86.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -115.33 -26.09 7.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.449 ' CG2' ' HD2' ' A' ' 60' ' ' LYS . 61.6 mt -100.12 97.19 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.8 175.42 7.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -142.28 -179.66 19.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -38.9 -64.8 0.85 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -146.91 24.53 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 0.793 . . . . 0.0 110.315 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -137.44 -166.02 1.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.9 p30 178.48 124.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.636 HD12 ' O2A' ' A' ' 116' ' ' HEC . 50.4 mt -85.49 98.32 10.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.467 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.5 m -88.76 111.02 21.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.418 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 109' ' ' CYS . 68.9 t -96.84 139.02 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.539 HG22 ' HG2' ' A' ' 9' ' ' LYS . 90.0 t -99.55 142.01 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -136.22 153.41 51.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 40.7 t-20 -138.23 139.54 39.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.453 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 13.0 m80 -86.64 -21.78 26.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.614 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.39 4.59 17.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.011 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.509 HG21 HBA1 ' A' ' 115' ' ' HEC . 42.7 m -100.95 -39.75 7.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -100.44 23.01 10.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.613 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -56.42 -19.4 14.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.0 2.69 53.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.7 t -115.0 129.61 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.862 ' O ' HMC3 ' A' ' 113' ' ' HEC . 6.2 mttp -51.72 158.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.451 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 8.8 m -73.99 -43.47 57.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 108.312 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -65.62 -10.03 32.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -64.82 -18.01 64.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 81.6 m -131.73 -49.27 0.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 108.344 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -76.93 81.85 3.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.579 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.466 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 3.8 p80 -94.74 43.94 1.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 109.646 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.681 ' HG2' HMC2 ' A' ' 114' ' ' HEC . 1.3 mp0 -106.81 148.13 36.33 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' A' ' 42' ' ' GLY . 11.8 Cg_endo -55.06 151.94 32.23 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.3 3.333 . . . . 0.0 109.588 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 43' ' ' ASP . . . -47.55 176.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER 76.27 -57.84 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.77 . . . . 0.0 109.26 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.551 ' HG3' ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -115.96 29.12 8.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.52 -38.91 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.239 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -107.9 88.44 2.73 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.84 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.551 ' HB2' ' HG3' ' A' ' 44' ' ' LYS . . . -128.09 169.76 13.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.725 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -60.17 143.99 47.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.9 m -79.63 -30.14 41.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 51.6 p -91.23 20.45 5.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.3 m -67.16 155.41 38.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.43 152.99 7.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.38 17.99 34.53 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.3 m -131.95 -135.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.423 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 44.2 m-70 -89.84 47.4 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.585 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -87.85 66.26 8.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.404 ' CG1' ' O ' ' A' ' 66' ' ' ASN . 3.8 mm -133.78 109.2 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 72.2 mt -99.49 76.67 2.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -163.33 121.66 1.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.449 ' HD2' ' CG2' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -87.09 46.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 60' ' ' LYS . . . 178.37 58.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -117.09 176.87 4.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -133.07 84.5 2.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.77 159.19 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 65' ' ' VAL . 4.3 p -81.27 4.03 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.423 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 27.9 m120 -97.78 12.46 33.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 p -78.33 133.75 37.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.038 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 28.1 t-105 -95.47 15.51 19.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 107.945 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.624 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 13.2 t80 -122.96 -1.21 8.87 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.819 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 2.7 ttmm -107.25 -39.34 5.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 35.6 m -69.57 -4.58 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.8 t -104.96 -47.21 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -103.9 31.42 4.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.581 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.765 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.6 OUTLIER -83.14 100.09 10.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 109.247 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.74 -28.78 58.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -73.83 149.96 41.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.33 -148.14 0.18 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.404 ' C ' ' N ' ' A' ' 80' ' ' LYS . . . 141.65 -171.59 24.32 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.74 -25.35 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.764 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 78' ' ' GLY . 6.8 ptmt -157.97 160.35 29.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -77.94 -177.94 4.24 Favored 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 124.288 3.325 . . . . 0.0 109.562 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.765 HG21 ' HB2' ' A' ' 74' ' ' ASP . 37.4 p -131.08 -164.32 1.42 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.442 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.8 m -78.26 -1.9 35.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 108.319 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 88' ' ' LYS . 10.0 mm -112.96 -44.19 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.13 -60.48 3.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 110.011 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.7 t -61.56 -58.89 6.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -45.61 -38.29 6.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.585 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 84' ' ' ILE . 4.3 mmtt -60.53 -47.91 84.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.82 -39.82 74.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -63.13 -43.81 97.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.7 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -92.44 21.99 4.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.415 ' O ' ' CB ' ' A' ' 93' ' ' ASP . . . -86.26 62.84 4.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 92' ' ' GLY . 0.9 OUTLIER 160.71 -56.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 96' ' ' GLU . 50.9 t0 -79.76 123.24 27.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 109.345 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -71.54 -37.7 71.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.447 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 7.8 tp10 -66.68 -25.83 66.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.7 HD12 ' HB2' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -78.31 -20.88 50.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -86.11 22.58 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -142.92 46.66 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 107' ' ' SER . 7.4 ptmt -167.83 -45.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.652 ' O ' HMC1 ' A' ' 116' ' ' HEC . 11.3 mt -90.06 -32.49 16.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.476 ' HA ' HMC2 ' A' ' 116' ' ' HEC . 22.4 p -122.26 1.19 9.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.401 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.35 114.93 5.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.779 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 1.3 m -60.58 -47.13 87.57 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.6 ttmt -124.43 132.34 53.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.34 45.58 14.33 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 30.3 p -115.47 176.27 5.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.957 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.67 -6.0 41.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.682 ' O ' HG22 ' A' ' 22' ' ' VAL . 97.3 m -103.42 -46.28 4.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 108.352 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -116.82 83.88 14.95 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.596 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 57.9 Cg_endo -89.74 70.48 1.86 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.321 3.347 . . . . 0.0 109.595 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 110.034 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.862 HMC3 ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 0.728 HBB3 HMB1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 1.019 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.822 HMC1 HBC3 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.445 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.1 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' ' 1' ' ' VAL . 0.3 OUTLIER 59.0 119.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.418 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -54.61 120.21 25.92 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.418 ' O ' ' O ' ' A' ' 3' ' ' VAL . 37.0 Cg_exo -40.8 163.65 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.302 3.334 . . . . 0.0 109.627 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.27 149.65 40.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -69.44 -179.35 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.48 46.24 56.51 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.94 116.0 28.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -80.49 139.95 36.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.692 HD11 ' HB2' ' A' ' 24' ' ' PHE . 14.3 mt -119.1 128.81 75.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.638 ' HB2' HG23 ' A' ' 21' ' ' THR . 2.3 t70 -164.09 95.75 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -116.3 -27.36 6.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 95.4 mt -94.1 99.11 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.14 174.8 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -145.25 -76.28 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.97 -115.92 0.68 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -41.26 -30.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -145.78 -156.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 170.18 130.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.457 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 19.2 mt -74.87 133.89 41.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.638 HG23 ' HB2' ' A' ' 11' ' ' ASP . 3.9 m -126.24 120.21 29.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.44 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.537 HG21 ' C2D' ' A' ' 116' ' ' HEC . 88.3 t -97.13 150.11 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.0 t -113.62 142.98 24.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.692 ' HB2' HD11 ' A' ' 10' ' ' ILE . 24.1 t80 -129.6 171.98 12.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -163.65 121.67 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -74.45 -11.16 60.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.564 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 87.2 p -92.84 19.85 7.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.026 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.525 HG21 HBA1 ' A' ' 115' ' ' HEC . 7.6 m -119.38 -37.26 3.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.375 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -101.91 23.93 10.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.59 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.54 -19.23 14.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -88.06 -1.79 58.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.53 HG12 ' CB ' ' A' ' 36' ' ' ASP . 39.1 t -111.39 128.73 67.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.838 ' O ' HMC3 ' A' ' 113' ' ' HEC . 11.5 mmpt? -51.29 159.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.464 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 10.9 m -73.85 -43.52 58.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 108.321 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -65.66 -9.57 28.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.53 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.2 t70 -64.59 -18.22 64.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 93.4 m -131.31 -49.02 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 108.316 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -76.39 90.32 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.627 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.476 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 2.8 p80 -104.92 45.07 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.619 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.711 ' HG2' HMC2 ' A' ' 114' ' ' HEC . 2.4 mp0 -106.75 136.07 19.46 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -86.07 149.64 9.43 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.281 3.32 . . . . 0.0 109.576 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.93 164.75 25.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -57.16 -17.97 13.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -91.3 37.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -41.18 -29.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.251 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -106.54 98.87 8.48 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.832 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.81 -177.21 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.848 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -73.46 144.26 34.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.7 m -80.8 -32.83 35.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.7 p -88.99 19.89 3.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 22.9 m -67.1 156.04 37.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.403 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.4 OUTLIER -56.51 153.9 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.0 17.98 24.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 16.3 m -130.84 -132.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -92.55 46.64 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.584 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -86.18 66.11 9.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.2 mm -132.06 108.78 14.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 72.6 mt -102.35 23.59 11.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.67 78.08 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.636 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -47.14 143.37 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 60' ' ' LYS . . . 80.05 46.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -104.75 173.16 6.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.29 81.16 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t -176.74 160.54 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.977 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.663 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.0 p -88.4 38.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -131.04 9.27 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.22 135.02 38.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.17 . . . . 0.0 109.981 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.497 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 40.9 t-105 -92.24 13.34 19.46 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.61 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 14.5 t80 -118.21 -9.31 10.49 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.825 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 6.9 ttmt -99.74 -45.46 5.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 26.9 m -64.71 -8.57 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 74.7 t -103.9 -46.29 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -104.56 32.77 3.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.606 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.865 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.6 OUTLIER -84.3 106.39 15.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.03 -28.1 35.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.27 151.19 38.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.34 -147.41 0.37 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 110.972 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.414 ' C ' ' N ' ' A' ' 80' ' ' LYS . . . 140.67 -171.35 24.08 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.39 -25.44 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 0.746 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 78' ' ' GLY . 5.4 ptmt -157.29 161.44 29.32 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -81.01 -178.3 4.29 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.321 3.347 . . . . 0.0 109.616 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.865 HG21 ' HB2' ' A' ' 74' ' ' ASP . 41.0 p -130.34 -165.03 1.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m -78.03 -2.84 39.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 108.334 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 84' ' ' ILE . 5.7 mm -111.74 -43.99 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.5 -60.85 2.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.018 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 8.8 t -60.57 -57.99 10.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 108.296 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.405 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 7.8 m170 -46.84 -38.92 11.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.622 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 84' ' ' ILE . 7.6 mmtm -59.7 -48.15 82.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -56.08 -40.34 73.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -63.71 -42.77 97.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.7 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -95.14 22.37 6.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.416 ' O ' ' CB ' ' A' ' 93' ' ' ASP . . . -86.16 61.55 4.46 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 92' ' ' GLY . 0.9 OUTLIER 160.93 -56.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 0.794 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 96' ' ' GLU . 56.3 t0 -78.04 122.81 26.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -71.83 -37.71 70.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.457 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 19.3 mt-10 -67.21 -25.72 66.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.7 HD12 ' HB2' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -78.8 -20.9 48.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -85.86 21.84 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -140.81 45.84 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 107' ' ' SER . 7.3 ptmt -167.0 -43.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.659 ' O ' HMC1 ' A' ' 116' ' ' HEC . 13.1 mt -93.44 -32.54 14.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.482 ' HA ' HMC2 ' A' ' 116' ' ' HEC . 18.5 p -123.01 4.61 9.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -60.43 108.43 1.81 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.774 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 1.2 m -51.36 -51.38 55.06 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -124.14 136.84 54.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.72 43.74 22.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.12 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 72.2 p -117.71 177.91 4.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.73 -4.1 32.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.421 ' O ' ' HD3' ' A' ' 111' ' ' PRO . 94.7 m -104.95 -46.59 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 108.302 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -117.58 83.37 17.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.589 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 44.1 Cg_endo -91.62 71.8 0.85 Allowed 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.294 3.329 . . . . 0.0 109.572 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.008 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.838 HMC3 ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 0.848 HMC3 ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 1.018 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.818 HMC1 HBC3 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.426 ' O ' ' CB ' ' A' ' 2' ' ' ASP . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 1' ' ' VAL . 2.4 t0 161.54 77.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.725 HG22 ' HB3' ' A' ' 26' ' ' HIS . 0.4 OUTLIER -53.88 109.83 1.74 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.253 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -48.93 163.04 0.33 Allowed 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.308 3.339 . . . . 0.0 109.606 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -86.05 150.53 24.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 5' ' ' ALA . 0.7 OUTLIER -54.3 -171.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.19 41.97 98.13 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.69 110.9 23.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 0.761 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -85.7 138.25 32.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.611 HD11 ' HB2' ' A' ' 24' ' ' PHE . 13.0 mt -112.98 130.9 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.44 ' HB2' HG23 ' A' ' 21' ' ' THR . 3.4 t0 -161.49 92.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -115.11 -27.76 7.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 75.6 mt -93.13 80.94 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.4 174.77 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.35 -43.84 0.02 OUTLIER Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.558 1.161 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.97 94.71 1.39 Allowed Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 48.74 28.8 1.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 110.278 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.22 45.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.17 131.06 53.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.481 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 81.0 mt -77.02 134.2 38.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.44 HG23 ' HB2' ' A' ' 11' ' ' ASP . 2.6 m -118.05 110.03 17.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 109' ' ' CYS . 54.1 t -89.82 145.8 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.0 t -105.74 127.49 60.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.611 ' HB2' HD11 ' A' ' 10' ' ' ILE . 17.1 t80 -122.14 168.02 12.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.473 ' CG ' ' HG ' ' A' ' 27' ' ' SER . 15.7 t30 -158.0 143.14 16.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.725 ' HB3' HG22 ' A' ' 3' ' ' VAL . 12.8 m80 -87.45 -27.19 22.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.597 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.473 ' HG ' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -75.14 -0.85 20.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.956 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.45 ' OG1' ' ND2' ' A' ' 25' ' ' ASN . 39.6 m -93.0 -39.45 11.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.461 ' CE1' ' CE1' ' A' ' 24' ' ' PHE . 37.2 m80 -104.63 24.85 11.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.585 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.77 -19.7 18.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.49 -0.75 57.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.484 HG12 ' CB ' ' A' ' 36' ' ' ASP . 35.9 t -109.73 133.69 54.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.86 ' O ' HMC3 ' A' ' 113' ' ' HEC . 8.3 mmmt -54.46 160.04 1.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.477 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 8.3 m -75.07 -42.77 56.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 108.291 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -65.59 -10.08 32.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.272 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.484 ' CB ' HG12 ' A' ' 32' ' ' VAL . 2.5 t70 -64.75 -18.36 64.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 87.0 m -131.77 -49.11 0.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 108.282 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -76.45 77.67 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.585 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.58 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 5.0 p80 -88.62 61.64 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.594 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.619 ' OE1' HBC2 ' A' ' 114' ' ' HEC . 67.6 mm-40 -134.91 149.86 71.67 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 45' ' ' GLN . 30.4 Cg_endo -56.98 152.06 45.97 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.307 3.338 . . . . 0.0 109.664 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 41' ' ' PRO . . . -47.06 176.69 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.148 . . . . 0.0 110.991 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 t70 69.93 -65.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 42' ' ' GLY . 21.2 mttt -110.32 23.83 13.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 40' ' ' GLN . 11.8 tt0 -63.43 -23.81 67.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -112.82 66.77 0.65 Allowed 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.802 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.04 179.81 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.103 . . . . 0.0 109.356 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.788 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -69.56 149.89 48.91 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.7 m -80.95 -32.09 34.63 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.4 p -88.75 19.49 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.427 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' A' ' 54' ' ' CYS . 23.7 m -67.43 156.39 36.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.412 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.69 153.5 10.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.53 20.06 29.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.135 . . . . 0.0 111.032 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 51' ' ' THR . 21.1 m -131.98 -132.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.413 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 51.8 m-70 -93.09 48.14 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.577 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -87.18 64.86 8.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.2 mm -131.57 109.1 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.8 mt -102.69 26.61 7.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.57 78.41 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.602 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -48.72 142.7 5.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 60' ' ' LYS . . . 77.99 42.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -102.36 177.37 4.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -124.34 84.92 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.7 160.83 2.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.021 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 65' ' ' VAL . 6.0 p -86.49 13.52 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.413 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 30.4 m120 -108.49 10.17 27.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 p -75.38 134.45 40.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.986 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.524 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 31.6 t-105 -94.17 14.07 21.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 108.022 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.653 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 5.7 t80 -119.96 -9.27 9.68 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.825 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 7.9 ttmm -99.96 -44.11 6.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 29.9 m -64.25 -8.71 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 80.4 t -102.49 -53.28 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -93.88 25.04 3.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.615 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.751 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.4 OUTLIER -77.73 125.63 29.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.75 -3.86 21.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -86.14 152.81 22.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -124.0 166.17 16.64 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.584 1.178 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.91 -82.89 0.13 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.91 -47.42 37.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.43 ' HZ2' ' C3A' ' A' ' 114' ' ' HEC . 2.4 ptmm? -162.41 159.51 20.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.237 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -74.88 -172.7 1.31 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.287 3.325 . . . . 0.0 109.619 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.751 HG21 ' CB ' ' A' ' 74' ' ' ASP . 31.8 p -137.23 -165.69 1.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.414 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.9 m -77.25 -3.17 38.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 108.273 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 88' ' ' LYS . 6.2 mm -112.24 -44.33 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.5 -61.57 2.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.95 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 6.9 t -59.98 -57.27 13.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 108.269 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.432 ' CE1' HBC1 ' A' ' 116' ' ' HEC . 10.0 m170 -47.59 -37.35 12.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.57 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 84' ' ' ILE . 8.5 mtpt -61.74 -48.38 80.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -56.99 -40.25 76.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -59.96 -40.91 90.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -93.36 23.26 4.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.177 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.401 ' C ' ' OD1' ' A' ' 93' ' ' ASP . . . -85.59 58.9 4.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' A' ' 92' ' ' GLY . 2.3 p-10 167.55 -58.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.426 ' HB3' ' CB ' ' A' ' 97' ' ' LEU . 58.4 t0 -82.3 125.04 30.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -73.86 -40.63 63.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.429 ' O ' ' NZ ' ' A' ' 100' ' ' LYS . 11.7 tt0 -65.92 -27.38 68.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.002 HD22 ' HD2' ' A' ' 100' ' ' LYS . 0.8 OUTLIER -74.69 -19.04 60.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -85.87 22.48 1.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -137.35 47.22 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 1.002 ' HD2' HD22 ' A' ' 97' ' ' LEU . 3.4 ptpp? -164.34 -47.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.594 HD11 ' CGD' ' A' ' 115' ' ' HEC . 11.3 mt -90.15 -28.98 18.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.0 p -122.76 4.19 9.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.39 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.1 117.01 10.18 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.748 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 0.8 OUTLIER -58.83 -57.19 14.13 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -121.87 138.48 54.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.15 42.15 29.78 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.1 p -117.8 -179.73 3.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.76 . . . . 0.0 110.038 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.42 -3.96 33.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.786 ' O ' HG22 ' A' ' 22' ' ' VAL . 77.4 m -104.67 -47.34 4.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 108.284 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -118.01 83.1 18.49 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 109.608 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 44.0 Cg_endo -92.05 71.91 0.72 Allowed 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.282 3.321 . . . . 0.0 109.616 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.86 HMC3 ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 0.788 HMC3 ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 0.997 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.805 HMD1 HBD1 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.27 118.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.404 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 0.7 OUTLIER -54.6 118.95 18.38 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 3' ' ' VAL . 42.7 Cg_exo -41.39 163.78 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.259 3.306 . . . . 0.0 109.611 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.12 150.34 24.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.09 -166.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.57 35.93 67.92 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.42 99.94 11.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.47 ' HD3' ' CG2' ' A' ' 21' ' ' THR . 0.0 OUTLIER -72.71 145.61 47.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 109.329 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.537 HD11 ' HB2' ' A' ' 24' ' ' PHE . 12.4 mt -125.58 125.59 68.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -165.49 92.89 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.567 ' HZ ' ' H2D' ' A' ' 113' ' ' HEC . 27.8 m-85 -115.27 -24.38 8.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.456 ' CG2' ' HD2' ' A' ' 60' ' ' LYS . 72.3 mt -98.22 94.4 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.76 174.38 1.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -146.0 -169.99 14.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.43 -78.41 0.09 OUTLIER Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -133.35 26.46 4.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 0.764 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -153.1 -161.06 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -178.94 131.58 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.908 HD12 ' O1A' ' A' ' 116' ' ' HEC . 35.1 mt -74.65 88.91 2.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.47 ' CG2' ' HD3' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -80.94 112.41 18.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 110.367 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 109' ' ' CYS . 54.8 t -101.37 144.52 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.0 t -105.05 137.63 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.537 ' HB2' HD11 ' A' ' 10' ' ' ILE . 51.1 t80 -132.8 150.41 52.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 37.0 t30 -137.03 144.84 43.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.451 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 16.4 m80 -87.24 -25.34 24.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.609 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.449 ' H ' ' HG ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -74.67 -1.91 23.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.018 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.475 HG21 HBA1 ' A' ' 115' ' ' HEC . 40.6 m -93.59 -40.05 10.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -103.18 23.99 11.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.63 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -57.1 -18.28 14.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -90.99 1.65 56.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.467 HG13 ' OD2' ' A' ' 36' ' ' ASP . 54.0 t -112.1 130.54 65.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.822 ' O ' HMC3 ' A' ' 113' ' ' HEC . 1.9 mptm? -52.25 155.96 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.488 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 9.5 m -71.33 -46.5 60.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 108.306 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.5 p30 -63.17 -10.24 14.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.467 ' OD2' HG13 ' A' ' 32' ' ' VAL . 4.9 t0 -64.23 -18.03 64.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.8 m -131.9 -49.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.308 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.74 82.87 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 109.622 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.457 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 4.4 p80 -95.75 42.32 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.585 1.178 . . . . 0.0 109.662 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.661 ' HG2' HMC2 ' A' ' 114' ' ' HEC . 1.2 mp0 -106.38 149.54 38.39 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 42' ' ' GLY . 10.8 Cg_endo -53.35 151.72 22.23 Favored 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.268 3.312 . . . . 0.0 109.565 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 41' ' ' PRO . . . -48.37 178.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.562 1.164 . . . . 0.0 110.956 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 73.3 -59.49 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.766 . . . . 0.0 109.353 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -113.45 26.5 10.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -40.23 -39.02 0.85 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -105.23 87.46 2.63 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.84 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.36 -176.78 3.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.842 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -74.45 145.64 34.68 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.554 1.159 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.8 m -80.55 -32.63 36.65 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 36.3 p -88.78 19.26 4.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 24.1 m -67.09 155.86 37.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.403 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 11.2 t0 -56.1 153.65 8.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.63 20.32 31.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.142 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 16.5 m -133.08 -133.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.422 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 49.0 m-70 -91.56 48.08 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.59 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -88.99 65.97 7.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.4 mm -132.92 108.89 13.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 67.5 mt -99.71 74.45 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -162.58 120.46 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.456 ' HD2' ' CG2' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -86.51 46.53 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -179.02 57.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -116.96 177.69 4.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.85 85.25 2.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.41 163.21 2.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.996 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.3 p -86.16 12.4 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 28.8 m120 -106.32 11.41 31.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.7 p -77.41 133.63 38.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.007 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.526 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 30.8 t-105 -93.4 13.99 19.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 108.018 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.615 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 15.6 t80 -121.36 -2.01 9.59 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.848 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 4.3 ttmm -105.86 -41.13 5.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.6 m -68.83 -5.29 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.82 -49.18 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -102.28 31.04 4.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.616 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.783 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.5 OUTLIER -81.46 100.5 9.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.53 -25.11 49.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -77.95 148.0 34.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.72 -148.31 0.07 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.421 ' C ' ' N ' ' A' ' 80' ' ' LYS . . . 140.8 -174.14 22.81 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.61 -27.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.421 ' N ' ' C ' ' A' ' 78' ' ' GLY . 6.2 ptmt -156.95 160.47 30.67 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -77.02 -177.19 3.64 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.304 3.336 . . . . 0.0 109.584 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.783 HG21 ' HB2' ' A' ' 74' ' ' ASP . 37.7 p -132.03 -164.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.357 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.8 m -77.62 -2.82 37.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 108.301 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 88' ' ' LYS . 6.0 mm -111.88 -44.93 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.62 -60.3 3.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.997 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 7.3 t -61.45 -57.37 12.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 108.343 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.481 ' CE1' HBC1 ' A' ' 116' ' ' HEC . 9.8 m170 -47.49 -33.27 6.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.591 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 84' ' ' ILE . 5.0 mtpt -67.51 -48.78 66.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -58.05 -38.46 76.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.453 ' HE2' HMD3 ' A' ' 115' ' ' HEC . 5.2 mmtm -59.75 -42.84 94.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.788 ' HB1' ' HB2' ' A' ' 98' ' ' LYS . . . -64.18 -77.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.95 -120.89 6.4 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.86 -39.14 36.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 0.769 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -54.58 102.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -69.6 -32.4 71.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -66.29 -34.27 77.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.719 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -76.62 -26.74 55.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.788 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 5.6 ttmm -84.72 22.83 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -136.91 42.91 2.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt -162.43 -50.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.234 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.602 ' O ' HMC1 ' A' ' 116' ' ' HEC . 11.4 mt -83.44 -27.92 29.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.477 ' HA ' HMC2 ' A' ' 116' ' ' HEC . 28.4 p -120.75 -2.25 9.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.421 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -49.69 129.12 25.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.444 1.09 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.765 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 1.2 m -78.09 -50.2 12.49 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -121.54 127.04 50.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.93 44.61 13.86 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.1 p -110.49 174.57 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.776 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.14 -9.29 45.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.745 ' O ' HG22 ' A' ' 22' ' ' VAL . 91.1 m -101.89 -45.32 5.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 108.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -117.22 84.08 16.77 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.602 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 44.7 Cg_endo -91.72 70.39 0.91 Allowed 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.306 3.337 . . . . 0.0 109.635 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.923 HMD1 HBD1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 0.842 HMC3 ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 1.019 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.908 ' O1A' HD12 ' A' ' 20' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.8 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' A' ' 1' ' ' VAL . 8.3 m-20 59.65 118.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.122 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.456 HG22 ' HB3' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -54.36 121.62 32.9 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -40.73 163.22 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.284 3.323 . . . . 0.0 109.651 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.85 151.33 23.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.9 -167.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.37 29.51 71.76 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.425 ' O ' ' HA ' ' A' ' 23' ' ' VAL . . . -86.23 135.85 33.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.792 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -117.92 135.48 54.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.593 HG22 ' O1D' ' A' ' 116' ' ' HEC . 6.8 mt -114.39 125.31 71.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.505 ' HB2' HG23 ' A' ' 21' ' ' THR . 4.7 t70 -158.22 90.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -115.53 -25.29 7.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.9 mt -98.44 85.75 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.75 176.98 1.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -140.45 -62.12 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 147.89 -80.4 0.21 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -60.79 -26.11 67.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 0.785 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -158.75 -160.81 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.403 ' O ' ' OD1' ' A' ' 19' ' ' ASN . 29.8 p-10 -173.84 123.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.477 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 24.2 mt -75.51 132.55 40.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.505 HG23 ' HB2' ' A' ' 11' ' ' ASP . 0.6 OUTLIER -123.02 114.36 20.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.419 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 109' ' ' CYS . 83.0 t -97.08 127.15 49.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 50.6 t -92.58 139.33 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.435 ' CE1' ' CE1' ' A' ' 29' ' ' HIS . 44.8 t80 -131.82 145.62 51.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.99 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.17 124.19 34.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.456 ' HB3' HG22 ' A' ' 3' ' ' VAL . 9.5 m80 -74.77 -18.3 60.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.8 p -88.2 15.79 7.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.041 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.539 HG21 HBA1 ' A' ' 115' ' ' HEC . 19.8 m -113.17 -33.31 6.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.421 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.435 ' CE1' ' CE1' ' A' ' 24' ' ' PHE . 67.5 m80 -103.26 23.07 13.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.629 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -56.69 -18.35 12.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.74 0.64 55.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.57 HG12 ' CB ' ' A' ' 36' ' ' ASP . 21.8 t -117.45 128.6 74.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.828 ' O ' HMC3 ' A' ' 113' ' ' HEC . 1.5 mtmm -51.56 159.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.49 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 9.8 m -73.6 -40.95 63.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 108.333 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -67.61 -8.69 36.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.57 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.7 t70 -65.67 -17.8 64.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.7 m -131.24 -48.68 1.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 108.345 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -76.38 88.13 3.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.605 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.57 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 4.0 p80 -101.29 64.09 1.01 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.588 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.655 ' HG3' HMC2 ' A' ' 114' ' ' HEC . 97.1 mm-40 -140.34 151.72 64.97 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.472 ' C ' ' O ' ' A' ' 40' ' ' GLN . 52.0 Cg_exo -27.92 140.21 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.327 3.351 . . . . 0.0 109.568 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -51.17 -51.95 33.66 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.09 -65.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -101.15 37.55 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' PRO . 18.4 tt0 -38.13 -45.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -101.98 103.0 13.61 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.828 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.91 -175.47 3.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.708 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -80.57 136.59 16.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.1 m -75.35 -32.97 61.05 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 p -89.83 20.43 4.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 54' ' ' CYS . 89.1 m -70.1 156.04 39.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -55.14 151.69 8.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.38 28.38 55.13 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.445 1.091 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 51' ' ' THR . 30.1 m -140.36 -131.76 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.409 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 56.0 m-70 -94.43 49.8 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -92.1 67.76 5.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.8 mm -133.89 110.64 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.0 mt -101.85 66.06 1.03 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -150.73 99.37 2.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.689 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -69.96 59.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 60' ' ' LYS . . . 162.09 60.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -122.51 179.03 4.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.26 86.53 2.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.35 157.9 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 65' ' ' VAL . 3.7 p -81.99 4.78 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 28.3 m120 -98.57 11.47 38.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 p -76.81 133.26 39.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.523 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 32.1 t-105 -94.52 14.35 21.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 107.998 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.617 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 15.2 t80 -122.31 -1.77 9.13 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.853 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 2.9 ttmm -106.85 -42.41 4.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 30.2 m -64.9 -9.37 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.5 t -102.03 -52.49 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -94.46 25.12 4.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.589 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.747 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.4 OUTLIER -77.46 99.34 5.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.7 -7.62 53.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -132.76 140.27 47.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -173.96 144.22 7.48 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.563 1.165 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 79' ' ' ALA . . . -112.96 -70.13 0.55 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 78' ' ' GLY . . . -39.84 -39.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.463 ' HZ2' ' CG ' ' A' ' 39' ' ' HIS . 13.2 ptmt -163.64 157.88 16.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -78.71 -170.75 1.06 Allowed 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.366 3.377 . . . . 0.0 109.532 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.747 HG21 ' CB ' ' A' ' 74' ' ' ASP . 30.2 p -137.46 -166.42 1.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.9 m -77.5 -3.79 42.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 108.295 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 88' ' ' LYS . 6.7 mm -111.71 -43.85 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.49 -60.7 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 10.9 t -61.33 -56.8 16.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 108.275 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.427 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 10.0 m170 -47.34 -36.95 10.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.628 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 84' ' ' ILE . 6.4 mttm -61.7 -47.27 86.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -57.53 -39.21 76.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -62.68 -40.08 95.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.599 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -96.37 23.88 6.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 93' ' ' ASP . . . -86.25 61.07 4.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.098 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 92' ' ' GLY . 0.9 OUTLIER 162.47 -54.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.78 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.425 ' HB3' ' CB ' ' A' ' 97' ' ' LEU . 60.7 t0 -81.7 123.51 28.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -73.0 -39.76 65.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.401 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 2.8 tp10 -66.36 -27.53 67.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.832 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -75.7 -20.07 58.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -86.31 22.62 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.71 48.31 1.92 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.699 ' HD2' HD22 ' A' ' 97' ' ' LEU . 10.3 ptpt -167.38 -45.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.617 ' O ' HMC1 ' A' ' 116' ' ' HEC . 13.7 mt -91.21 -32.57 15.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.6 p -122.31 14.2 10.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.28 119.39 7.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.147 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.752 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 1.0 OUTLIER -61.26 -53.15 60.49 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.35 137.83 54.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.13 41.06 40.58 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 95.7 p -113.37 175.51 5.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.988 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.29 -6.69 41.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.501 ' O ' HG22 ' A' ' 22' ' ' VAL . 95.8 m -102.12 -46.84 4.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 108.327 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -117.47 83.54 17.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.597 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 46.1 Cg_endo -91.42 71.87 0.91 Allowed 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.308 3.339 . . . . 0.0 109.625 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.0 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.828 HMC3 ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 0.737 HBB3 HMB1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 1.029 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.836 HMC1 HBC3 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.422 ' O ' ' CB ' ' A' ' 2' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 1' ' ' VAL . 14.6 t0 76.8 115.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.44 HG22 ' HB3' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -54.46 120.62 27.7 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -41.42 164.04 0.03 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.33 3.353 . . . . 0.0 109.584 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.67 151.52 23.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.413 ' OD2' ' N ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -55.69 -167.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' N ' ' OD2' ' A' ' 6' ' ' ASP . . . 69.58 32.1 71.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' A' ' 23' ' ' VAL . . . -88.87 135.2 33.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 109.256 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -113.62 133.56 55.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.497 HG22 ' O2D' ' A' ' 116' ' ' HEC . 11.2 mt -111.94 124.42 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.612 ' HB2' HG23 ' A' ' 21' ' ' THR . 6.9 t70 -158.78 92.38 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.174 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -115.22 -27.68 7.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 76.5 mt -94.85 101.39 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.83 175.64 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -140.95 -163.74 9.64 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.76 -64.25 0.69 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -78.91 -32.51 45.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -163.49 -157.53 0.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -156.42 130.99 8.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.8 mt -74.83 133.88 41.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.612 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.5 m -120.71 117.6 27.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.409 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 109' ' ' CYS . 73.8 t -99.76 136.51 30.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 88.9 t -100.18 135.05 37.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.497 ' HB2' HD11 ' A' ' 10' ' ' ILE . 58.1 t80 -127.12 145.98 50.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -128.75 125.48 37.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.44 ' HB3' HG22 ' A' ' 3' ' ' VAL . 6.0 m80 -74.72 -20.12 59.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.583 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.1 p -88.09 16.03 6.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 110.036 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.517 HG21 HBA1 ' A' ' 115' ' ' HEC . 52.6 m -110.66 -35.12 6.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.414 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -103.55 23.84 12.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.586 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.2 -19.82 15.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -84.66 -2.57 57.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.612 HG12 ' CB ' ' A' ' 36' ' ' ASP . 7.6 t -114.41 130.8 68.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.77 ' O ' HMC3 ' A' ' 113' ' ' HEC . 0.1 OUTLIER -53.61 159.39 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.483 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 8.4 m -72.83 -41.56 64.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 108.28 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -66.34 -9.72 35.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.612 ' CB ' HG12 ' A' ' 32' ' ' VAL . 3.5 t70 -65.09 -18.45 65.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 96.2 m -130.25 -49.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 108.327 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -76.45 74.78 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.599 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.583 ' CE1' ' HB2' ' A' ' 40' ' ' GLN . 8.2 p80 -84.34 -57.36 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.586 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -98.83 111.58 60.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.408 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 37.8 Cg_endo -88.0 103.95 0.5 Allowed 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.276 3.318 . . . . 0.0 109.558 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.584 ' H ' ' HB3' ' A' ' 47' ' ' ALA . . . -53.51 -57.51 15.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.73 -37.57 3.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' TYR . 9.1 mttt -141.44 171.6 13.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.08 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' LYS . 16.0 tp60 -37.9 -31.82 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.57 ' CZ ' HMB3 ' A' ' 113' ' ' HEC . 20.6 m-85 -119.28 124.49 46.82 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.785 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.584 ' HB3' ' H ' ' A' ' 42' ' ' GLY . . . -150.56 -176.88 5.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.766 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -76.96 145.54 31.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 25.6 m -80.13 -35.15 37.12 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 19.5 p -89.41 21.67 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 25.8 m -66.73 156.37 35.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.402 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.87 152.82 6.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.53 20.59 31.4 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 51' ' ' THR . 17.1 m -134.14 -137.02 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.439 ' O ' ' HA ' ' A' ' 50' ' ' THR . 51.8 m-70 -86.47 44.88 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.601 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -83.91 68.71 10.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.7 mm -133.76 109.26 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.5 mt -103.26 25.56 9.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.59 77.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.557 ' HD2' ' CE2' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -43.02 153.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 62.07 54.43 2.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -110.57 175.73 5.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.547 1.155 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -122.56 83.34 2.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.07 158.41 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.2 p -83.59 7.58 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.419 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 31.9 m120 -101.42 8.41 42.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 p -74.97 136.68 41.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.552 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 30.0 t-105 -97.37 17.41 17.51 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.653 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 7.9 t80 -122.81 -7.18 8.49 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.808 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.568 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 5.3 ttmt -101.71 -42.86 6.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.5 m -64.17 -7.92 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.9 t -104.99 -53.31 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -94.56 25.96 3.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.596 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.771 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.7 OUTLIER -75.18 103.45 5.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.68 -4.26 59.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.15 147.58 24.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.48 -160.55 0.65 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.431 1.082 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.402 ' C ' ' N ' ' A' ' 80' ' ' LYS . . . 150.72 -172.76 30.4 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.96 -26.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 78' ' ' GLY . 6.8 ptmt -156.59 159.96 31.03 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -73.67 -171.71 0.91 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.289 3.326 . . . . 0.0 109.601 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.771 HG21 ' CB ' ' A' ' 74' ' ' ASP . 24.9 p -138.0 -165.69 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 110.376 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.8 m -77.07 -3.38 38.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 108.255 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.474 HG22 ' HD2' ' A' ' 88' ' ' LYS . 8.5 mm -112.07 -44.54 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.32 -61.26 2.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 6.6 t -60.4 -57.74 11.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 108.307 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.445 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 10.6 m170 -47.02 -37.56 9.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.599 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.474 ' HD2' HG22 ' A' ' 84' ' ' ILE . 12.1 mttt -60.98 -47.37 86.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -55.98 -40.86 73.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.577 ' HE2' HMD3 ' A' ' 115' ' ' HEC . 19.4 mmtm -62.71 -41.95 99.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.528 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -92.81 22.49 4.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 93' ' ' ASP . . . -86.95 60.92 4.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.456 1.097 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.442 ' CB ' ' O ' ' A' ' 92' ' ' GLY . 0.9 OUTLIER 160.62 -57.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 0.722 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 96' ' ' GLU . 55.1 t0 -78.12 125.08 28.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -73.53 -39.72 64.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.442 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 6.4 tp10 -65.38 -26.14 67.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.656 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -76.96 -20.99 55.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -85.82 24.49 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -143.52 48.06 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.568 ' HD2' HD22 ' A' ' 97' ' ' LEU . 13.1 ptpt -167.5 -46.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.67 ' O ' HMC1 ' A' ' 116' ' ' HEC . 10.8 mt -91.2 -32.17 15.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.8 p -121.29 6.91 10.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.443 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -63.48 115.54 8.11 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.756 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 0.9 OUTLIER -57.78 -54.97 40.91 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -123.71 138.54 54.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.22 42.2 29.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.4 p -117.66 -179.68 3.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.52 -4.61 37.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.688 ' O ' HG22 ' A' ' 22' ' ' VAL . 93.5 m -104.07 -46.99 4.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 108.278 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -118.41 83.59 21.36 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.593 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 45.6 Cg_endo -92.73 73.23 0.48 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.28 3.32 . . . . 0.0 109.567 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.77 HMC3 ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 0.766 HMC3 ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 1.038 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.831 HMC1 HBC3 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 1' ' ' VAL . 2.2 p . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 57.7 109.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -54.57 121.03 30.67 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 3' ' ' VAL . 37.4 Cg_exo -40.43 163.18 0.02 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.335 3.357 . . . . 0.0 109.581 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -86.45 153.27 22.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.265 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' ALA . 1.2 p-10 -55.49 -167.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.89 34.73 65.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.426 ' O ' ' HA ' ' A' ' 23' ' ' VAL . . . -91.62 135.54 33.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -115.25 136.38 53.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.716 HG22 ' O1D' ' A' ' 116' ' ' HEC . 9.1 mt -115.34 124.65 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.44 ' HB2' HG23 ' A' ' 21' ' ' THR . 7.1 t70 -160.48 92.49 0.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -116.38 -27.6 6.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 71.3 mt -95.34 101.99 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.53 90.3 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.247 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.05 170.46 42.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 17' ' ' GLU . . . 87.5 78.49 1.25 Allowed Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER 72.61 -52.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.789 . . . . 0.0 110.274 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -159.2 -51.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 171.26 107.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.618 HD12 ' O1A' ' A' ' 116' ' ' HEC . 36.3 mt -74.7 108.09 7.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.44 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.4 m -97.82 111.61 23.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 110.428 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 109' ' ' CYS . 66.0 t -96.9 131.03 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 64.8 t -93.98 141.19 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -131.92 159.57 38.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.527 HD21 ' CB ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -142.88 125.8 16.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -75.47 -16.34 60.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.6 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.5 p -90.37 15.42 10.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.527 ' CB ' HD21 ' A' ' 25' ' ' ASN . 90.2 m -112.49 -28.77 7.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -111.15 22.47 15.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 109.545 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -56.66 -19.05 14.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.29 -2.57 58.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.586 HG12 ' CB ' ' A' ' 36' ' ' ASP . 13.0 t -112.84 131.38 64.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.77 ' O ' HMC3 ' A' ' 113' ' ' HEC . 13.7 mttm -52.81 157.74 1.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.47 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 10.7 m -72.59 -40.85 66.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 108.278 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.6 p30 -67.71 -8.82 38.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.586 ' CB ' HG12 ' A' ' 32' ' ' VAL . 3.9 t70 -65.27 -18.61 65.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.6 m -130.78 -48.13 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 108.28 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -77.84 79.52 4.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.599 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.464 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 4.2 p80 -92.3 42.64 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.584 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.697 ' HG2' HMC2 ' A' ' 114' ' ' HEC . 1.3 mp0 -107.94 151.41 41.23 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -49.3 141.76 23.67 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.308 3.339 . . . . 0.0 109.585 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.449 ' C ' ' N ' ' A' ' 44' ' ' LYS . . . -46.24 -45.19 15.63 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.566 1.166 . . . . 0.0 111.051 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' GLY . 14.2 t70 -40.35 -29.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.743 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.449 ' N ' ' C ' ' A' ' 42' ' ' GLY . 38.2 pttt -154.27 50.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -40.42 -51.93 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -98.0 99.66 10.95 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.824 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.1 -176.86 4.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.931 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -75.37 143.46 30.57 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.5 m -80.95 -34.64 33.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 72.2 p -88.91 19.1 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 19.9 m -65.31 156.05 33.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.402 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 4.6 t70 -55.77 153.24 8.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.68 15.68 19.79 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.549 1.156 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 13.6 m -128.84 -135.93 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' A' ' 50' ' ' THR . 44.4 m-70 -88.46 44.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.599 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -84.39 65.84 9.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.8 mm -133.56 108.64 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 47.5 mt -103.0 28.6 6.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.13 79.2 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.609 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -49.79 143.32 7.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 60' ' ' LYS . . . 77.96 44.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -108.28 176.47 5.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -122.23 84.66 2.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.1 t -175.18 153.77 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 65' ' ' VAL . 4.4 p -79.22 1.26 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 1.6 m-20 -96.02 13.05 28.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.2 p -78.66 133.5 37.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.511 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 33.2 t-105 -93.21 13.03 22.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 108.005 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.644 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 9.7 t80 -119.06 -7.38 10.37 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.821 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 9.8 tttm -99.77 -44.97 5.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.0 m -64.79 -9.46 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 74.3 t -101.14 -47.85 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -103.6 32.87 3.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.581 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.817 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.6 OUTLIER -84.49 109.0 17.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.16 -22.2 28.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -76.98 154.04 33.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -129.59 158.72 22.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.12 -81.03 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.13 -48.32 24.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.8 ptmt -156.08 160.62 30.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -80.83 171.53 14.24 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.327 3.351 . . . . 0.0 109.58 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.817 HG21 ' HB2' ' A' ' 74' ' ' ASP . 43.2 p -123.43 -162.12 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.405 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.2 m -78.82 0.42 27.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 108.293 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 88' ' ' LYS . 7.7 mm -112.94 -46.57 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 t -52.58 -59.25 4.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.028 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.8 t -62.0 -59.78 4.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 108.317 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.486 ' CE1' HBC1 ' A' ' 116' ' ' HEC . 11.3 m170 -46.75 -31.41 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.632 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 84' ' ' ILE . 0.7 OUTLIER -69.94 -50.75 38.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.17 -38.34 70.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.55 ' HE2' HMD3 ' A' ' 115' ' ' HEC . 7.0 mmtm -58.54 -41.88 86.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.642 ' HB1' ' HB2' ' A' ' 98' ' ' LYS . . . -81.67 -79.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.522 ' O ' ' CB ' ' A' ' 93' ' ' ASP . . . 43.99 95.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.559 1.162 . . . . 0.0 111.005 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER 83.98 -49.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.477 ' N ' ' CG ' ' A' ' 93' ' ' ASP . 35.8 t0 -56.24 95.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -35.24 76.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -67.18 -29.73 69.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.919 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -96.22 -20.0 18.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.642 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 1.4 tmtp? -85.98 23.27 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -138.24 48.21 1.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.895 ' HD2' HD22 ' A' ' 97' ' ' LEU . 12.0 ptpt -165.22 -47.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.68 ' O ' HMC1 ' A' ' 116' ' ' HEC . 14.0 mt -87.52 -29.38 21.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.487 ' HA ' HMC2 ' A' ' 116' ' ' HEC . 32.8 p -119.52 -2.52 10.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -50.97 122.8 14.93 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.758 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 1.2 m -69.59 -51.15 37.83 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.4 130.89 53.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.61 44.3 16.39 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.3 p -113.93 177.32 4.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 109.979 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.78 -7.01 41.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.649 ' O ' HG22 ' A' ' 22' ' ' VAL . 91.5 m -103.16 -46.39 4.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 108.297 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -117.08 83.95 15.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.567 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 44.5 Cg_endo -91.29 72.78 0.87 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.323 3.349 . . . . 0.0 109.57 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.882 HBD2 HMD1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 0.931 HMC3 ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 1.03 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.802 HMD1 HBD1 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.538 ' O ' HG23 ' A' ' 1' ' ' VAL . 1.5 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 1' ' ' VAL . 0.9 OUTLIER 81.46 87.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.406 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 0.4 OUTLIER -54.58 120.08 25.03 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 3' ' ' VAL . 52.0 Cg_exo -41.86 165.19 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.355 3.37 . . . . 0.0 109.552 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.94 150.08 27.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -165.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.02 45.82 92.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.99 138.72 36.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' HG2' HG22 ' A' ' 23' ' ' VAL . 24.5 mttm -112.71 137.04 51.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.602 HD11 ' HB2' ' A' ' 24' ' ' PHE . 9.1 mt -114.85 125.75 72.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.575 ' HB2' HG23 ' A' ' 21' ' ' THR . 11.0 t0 -161.33 96.19 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -117.61 -29.93 5.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.481 ' O ' HG22 ' A' ' 13' ' ' ILE . 91.4 mt -86.58 78.28 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.43 172.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 172.94 57.93 0.05 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 57.55 -146.36 37.82 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -90.53 27.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.03 49.96 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.2 131.93 46.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 85.5 mt -77.25 134.66 38.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.575 HG23 ' HB2' ' A' ' 11' ' ' ASP . 3.4 m -119.2 112.82 19.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.391 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.595 HG22 ' O ' ' A' ' 109' ' ' CYS . 77.2 t -92.79 138.79 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.449 HG22 ' HG2' ' A' ' 9' ' ' LYS . 95.2 t -103.2 139.32 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.602 ' HB2' HD11 ' A' ' 10' ' ' ILE . 51.5 t80 -123.82 175.9 6.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.133 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -160.75 121.73 2.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -74.97 -19.49 60.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.583 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.9 p -87.78 15.74 6.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.033 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.547 HG21 HBA1 ' A' ' 115' ' ' HEC . 94.4 m -112.87 -33.74 5.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.376 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -106.88 24.99 11.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.596 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -19.52 17.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -87.06 -1.28 57.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.57 HG12 ' CB ' ' A' ' 36' ' ' ASP . 18.5 t -111.61 128.86 67.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.743 ' O ' HMC3 ' A' ' 113' ' ' HEC . 6.7 mmtt -51.32 156.39 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.466 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 12.8 m -71.99 -38.99 69.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 108.346 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -70.45 -6.93 39.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.57 ' CB ' HG12 ' A' ' 32' ' ' VAL . 2.1 t70 -67.22 -18.42 65.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 99.9 m -130.32 -47.53 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 108.308 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -78.45 81.34 4.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.594 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.486 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 2.7 p80 -96.03 45.72 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.623 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.706 ' HG2' HMC2 ' A' ' 114' ' ' HEC . 2.5 mp0 -106.81 135.52 19.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -85.74 148.52 9.71 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.301 3.334 . . . . 0.0 109.591 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.83 166.63 26.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.0 -16.72 19.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.64 36.21 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -41.48 -29.63 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.264 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -106.32 96.03 6.18 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.838 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.77 -177.02 4.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.883 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -74.63 145.54 34.27 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.0 m -81.37 -32.63 32.79 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.8 p -89.04 19.93 3.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.412 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 19.7 m -67.5 156.15 37.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 19.0 p-10 -56.83 153.66 10.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.09 18.05 25.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 16.4 m -130.4 -131.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -93.74 47.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.575 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -85.85 64.55 8.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.494 ' CG2' ' OD1' ' A' ' 59' ' ' ASP . 3.2 mm -131.5 108.92 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 54.9 mt -101.52 10.93 39.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.494 ' OD1' ' CG2' ' A' ' 57' ' ' ILE . 0.8 OUTLIER -101.99 71.51 1.28 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.558 ' HD2' ' CE2' ' A' ' 69' ' ' TYR . 7.3 ttpt -40.2 158.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.42 ' N ' ' HG2' ' A' ' 60' ' ' LYS . . . 63.91 44.72 4.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -102.49 176.65 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.6 84.35 2.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.73 164.4 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.938 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.3 p -89.79 24.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -120.09 9.88 11.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 p -76.06 134.67 40.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.499 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 39.5 t-105 -93.66 13.45 22.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 108.05 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.632 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 6.0 t80 -118.73 -11.14 9.86 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.843 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 5.8 ttmm -98.0 -44.87 6.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 26.9 m -64.62 -8.75 5.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 71.9 t -103.66 -46.13 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -103.58 31.65 4.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.579 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.826 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.5 OUTLIER -84.94 107.36 17.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.84 -22.16 50.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -118.7 141.37 48.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -174.62 136.73 3.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 79' ' ' ALA . . . -105.62 -67.31 0.69 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' GLY . . . -39.94 -46.13 1.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.411 ' HZ3' ' CG ' ' A' ' 39' ' ' HIS . 10.2 ptmt -161.25 159.42 24.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -80.36 -178.78 4.71 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.394 3.396 . . . . 0.0 109.563 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.826 HG21 ' HB2' ' A' ' 74' ' ' ASP . 41.6 p -129.58 -164.47 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.369 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.9 m -78.15 -4.25 46.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 108.281 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 88' ' ' LYS . 6.6 mm -110.32 -44.17 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.538 ' H ' ' HG ' ' A' ' 85' ' ' SER . 0.7 OUTLIER -53.41 -60.35 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.963 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.4 t -60.67 -58.79 6.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.322 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.401 ' CE1' HBC1 ' A' ' 116' ' ' HEC . 8.9 m170 -46.54 -37.95 8.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.589 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 84' ' ' ILE . 14.2 mtpt -60.38 -48.34 82.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -56.42 -40.62 75.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -61.76 -40.62 95.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.604 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -95.67 22.45 7.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 93' ' ' ASP . . . -85.5 61.13 4.63 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.405 ' CB ' ' O ' ' A' ' 92' ' ' GLY . 1.6 p-10 163.26 -58.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 96' ' ' GLU . 59.0 t0 -79.39 125.03 29.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -73.48 -40.35 64.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.425 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 23.6 tt0 -65.4 -26.99 68.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.789 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -75.7 -20.8 58.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -86.01 22.69 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.46 46.41 1.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.482 ' HE2' HD22 ' A' ' 97' ' ' LEU . 6.4 ptmt -166.33 -45.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.67 ' O ' HMC1 ' A' ' 116' ' ' HEC . 16.0 mt -91.89 -32.26 15.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.444 ' HA ' HMC2 ' A' ' 116' ' ' HEC . 27.9 p -120.06 2.94 10.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.7 117.29 9.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.768 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 1.2 m -60.95 -52.39 65.23 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.62 133.81 53.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.36 45.35 11.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.4 p -119.13 -179.51 3.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 110.023 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.24 -4.0 33.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.595 ' O ' HG22 ' A' ' 22' ' ' VAL . 87.0 m -105.88 -46.54 4.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 108.286 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -117.32 83.64 16.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.609 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 43.4 Cg_endo -91.62 72.53 0.8 Allowed 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.287 3.324 . . . . 0.0 109.568 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 98.4 p . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.907 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.833 HBD2 HMD1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 0.883 HMC3 ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 0.998 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.811 HMC1 HBC3 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 59.83 114.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.419 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 0.8 OUTLIER -54.53 117.6 13.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 3' ' ' VAL . 38.7 Cg_exo -41.53 164.01 0.03 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.295 3.33 . . . . 0.0 109.639 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.01 150.56 24.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -164.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.17 35.08 70.21 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.7 97.3 9.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 0.747 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -70.79 142.16 51.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.757 HG22 ' O2D' ' A' ' 116' ' ' HEC . 11.4 mt -123.36 121.65 63.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.491 ' HB2' HG23 ' A' ' 21' ' ' THR . 5.8 t70 -160.95 91.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -115.35 -25.85 7.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.43 HG21 ' CD ' ' A' ' 60' ' ' LYS . 49.4 mt -98.07 96.68 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.43 154.16 35.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -152.87 126.13 1.93 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 41.31 -142.52 0.96 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -90.44 22.57 3.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.735 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -139.8 -163.52 1.52 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 169.61 128.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.415 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 37.6 mt -74.71 117.73 16.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.491 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -104.89 112.35 25.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.432 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 109' ' ' CYS . 71.0 t -98.26 141.67 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.2 t -105.29 140.68 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.504 ' HB2' HD11 ' A' ' 10' ' ' ILE . 45.2 t80 -133.75 150.29 51.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 48.7 t-20 -135.53 142.43 45.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.454 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 14.9 m80 -87.11 -21.06 26.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.607 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.22 6.28 17.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.497 HG21 HBA1 ' A' ' 115' ' ' HEC . 85.5 m -102.09 -39.5 7.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.442 ' CE1' ' CE1' ' A' ' 24' ' ' PHE . 46.8 m80 -102.73 23.65 11.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.609 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -56.68 -18.69 13.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.23 -0.44 57.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.579 HG12 ' CB ' ' A' ' 36' ' ' ASP . 17.4 t -112.65 130.8 65.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.836 ' O ' HMC3 ' A' ' 113' ' ' HEC . 32.4 mttm -51.61 160.97 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.475 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 10.6 m -75.56 -40.39 56.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 108.332 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.0 p30 -68.4 -8.19 38.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.579 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.6 t70 -66.21 -18.03 65.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 86.4 m -131.66 -48.84 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 108.321 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -77.58 68.0 3.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.574 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 5.8 p80 -76.93 58.02 1.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.574 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.565 ' OE1' HBC2 ' A' ' 114' ' ' HEC . 57.3 mm-40 -131.23 151.82 79.51 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 42' ' ' GLY . 38.3 Cg_endo -58.51 152.65 53.48 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.348 3.365 . . . . 0.0 109.634 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 41' ' ' PRO . . . -48.74 179.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 73.69 -68.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.724 ' HG3' ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -107.31 22.5 15.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -46.39 -38.97 9.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -102.75 91.27 4.1 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.012 -0.994 . . . . 0.0 109.813 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.724 ' HB2' ' HG3' ' A' ' 44' ' ' LYS . . . -132.37 175.73 9.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.582 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -66.91 139.77 37.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.464 1.103 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.2 m -75.36 -29.57 59.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 50.4 p -91.59 23.12 3.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 89.5 m -71.97 154.98 40.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -54.67 153.29 6.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.352 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.45 25.43 49.4 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.464 1.103 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.1 m -138.92 -131.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.255 -1.016 . . . . 0.0 108.255 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.407 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 45.9 m-70 -94.19 49.95 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.595 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -88.3 63.08 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.2 mm -132.31 115.33 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.5 mt -106.37 76.81 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -163.08 124.26 2.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 10.1 mtmt -87.41 46.19 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 60' ' ' LYS . . . 177.35 58.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -115.46 176.7 4.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -133.15 84.32 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.9 p -175.51 162.3 2.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 65' ' ' VAL . 6.1 p -85.13 9.48 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.407 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 1.6 m-20 -104.33 14.32 30.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.6 p -78.0 133.25 38.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.527 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 30.8 t-105 -94.4 14.38 20.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 107.999 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.626 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 15.2 t80 -124.14 -1.27 8.25 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.802 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 74' ' ' ASP . 2.7 ttmm -107.69 -37.06 6.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 28.0 m -73.79 -2.28 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.7 t -105.4 -54.62 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -92.94 24.24 3.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.591 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.788 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.3 OUTLIER -70.77 140.55 51.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.59 1.181 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -128.67 19.98 6.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -125.24 153.88 42.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -111.33 -174.84 20.04 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.721 ' O ' ' HB2' ' A' ' 79' ' ' ALA . . . 126.59 39.41 0.4 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.721 ' HB2' ' O ' ' A' ' 78' ' ' GLY . . . 159.01 -53.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 0.792 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.07 159.03 12.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -77.39 -171.64 1.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.293 3.329 . . . . 0.0 109.581 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.788 HG21 ' CB ' ' A' ' 74' ' ' ASP . 34.2 p -140.44 -166.58 2.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.403 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.7 m -76.74 -3.86 40.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 108.293 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.464 ' CG2' ' HD2' ' A' ' 88' ' ' LYS . 8.7 mm -112.26 -43.9 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.84 -62.13 1.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.969 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.4 t -59.75 -57.66 11.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 108.31 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.41 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 8.0 m170 -46.83 -38.94 11.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.6 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.464 ' HD2' ' CG2' ' A' ' 84' ' ' ILE . 3.9 mtpp -60.01 -48.18 82.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 1.067 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -56.53 -39.76 73.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.347 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -63.73 -43.82 95.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.615 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -92.56 25.92 2.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.593 ' O ' ' CB ' ' A' ' 93' ' ' ASP . . . -77.26 109.0 2.7 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.593 ' CB ' ' O ' ' A' ' 92' ' ' GLY . 3.3 t70 89.0 -19.06 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 0.799 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -95.29 112.44 24.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -37.7 56.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -65.29 -37.28 86.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.257 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.707 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -78.74 -15.77 58.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -86.31 24.07 1.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -143.92 47.42 1.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.548 ' HE2' HD22 ' A' ' 97' ' ' LEU . 7.6 ptmt -168.02 -45.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.641 ' O ' HMC1 ' A' ' 116' ' ' HEC . 13.1 mt -91.6 -31.91 15.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.447 ' HA ' HMC2 ' A' ' 116' ' ' HEC . 21.4 p -122.35 5.2 9.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.383 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.72 116.27 9.11 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.741 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 1.2 m -59.72 -50.15 74.96 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -123.22 135.53 54.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.15 43.04 27.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.969 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 55.2 p -114.52 175.03 5.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.04 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.94 -7.23 44.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.36 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.673 ' O ' HG22 ' A' ' 22' ' ' VAL . 99.9 m -101.86 -46.94 4.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 108.288 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -117.64 83.52 17.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.616 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 44.7 Cg_endo -91.76 71.71 0.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.294 3.33 . . . . 0.0 109.606 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.956 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.836 HMC3 ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 0.716 HBB3 HMB1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 1.022 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.813 HMC1 HBC3 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 1' ' ' VAL . 3.9 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 1' ' ' VAL . 9.9 p-10 -37.61 127.5 1.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.442 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 0.4 OUTLIER -54.44 116.47 10.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 3' ' ' VAL . 46.1 Cg_exo -42.38 165.63 0.03 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.3 3.333 . . . . 0.0 109.568 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -82.59 150.53 26.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 5' ' ' ALA . 1.7 p-10 -53.85 -172.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.87 44.47 30.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.65 96.87 7.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.478 ' HD3' ' CG2' ' A' ' 21' ' ' THR . 0.0 OUTLIER -71.25 145.97 49.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.585 HG22 ' O1D' ' A' ' 116' ' ' HEC . 13.0 mt -125.89 125.96 69.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -165.11 91.85 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -114.93 -27.77 7.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.1 mt -96.74 96.13 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 173.93 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -147.7 58.84 0.47 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.14 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.87 -92.39 0.2 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.62 -49.31 4.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 0.765 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -84.42 -166.47 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 173.8 129.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.498 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 35.8 mt -77.53 132.85 38.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.478 ' CG2' ' HD3' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -119.2 113.63 21.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.399 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.859 HG22 ' O ' ' A' ' 109' ' ' CYS . 59.6 t -100.89 132.01 47.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.7 t -96.12 133.46 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.578 ' HB2' HD11 ' A' ' 10' ' ' ILE . 43.5 t80 -128.99 151.81 49.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 23.5 t30 -140.32 145.29 37.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.45 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 16.7 m80 -86.32 -27.5 24.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.589 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.431 ' H ' ' HG ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -74.03 -1.77 21.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.008 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.476 HG21 HBA1 ' A' ' 115' ' ' HEC . 84.7 m -92.65 -41.21 10.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -102.54 24.33 10.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.608 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -18.74 12.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.92 3.12 55.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.48 HG12 ' CB ' ' A' ' 36' ' ' ASP . 42.6 t -114.3 132.76 62.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.849 ' O ' HMC3 ' A' ' 113' ' ' HEC . 27.2 mttm -53.04 158.98 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.495 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 11.6 m -74.75 -42.0 59.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 108.287 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.8 p30 -67.32 -9.01 36.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.48 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.5 t0 -65.04 -18.56 65.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.507 ' HA ' ' HZ2' ' A' ' 80' ' ' LYS . 91.7 m -130.71 -49.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 108.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -76.24 77.41 3.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.579 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.541 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 2.8 p80 -88.68 50.83 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.546 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.528 ' HG2' HMC2 ' A' ' 114' ' ' HEC . 1.5 mp0 -112.66 172.94 3.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.477 ' CD ' ' HB3' ' A' ' 40' ' ' GLN . 19.2 Cg_exo -70.69 147.22 56.43 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.312 3.341 . . . . 0.0 109.612 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 43' ' ' ASP . . . -46.42 -51.74 11.71 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -38.9 -50.67 1.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 109.245 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -131.53 56.83 1.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' PRO . 15.1 tt0 -52.22 -46.48 65.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -103.49 103.27 13.22 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.829 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.78 -178.89 6.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.798 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -70.59 141.22 33.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.3 m -77.87 -30.73 50.99 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 35.6 p -93.02 20.62 6.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.37 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.9 m -66.95 156.71 35.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.4 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 1.1 m-20 -55.4 153.56 7.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.98 15.86 22.73 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.591 1.182 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 12.1 m -129.44 -136.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.412 ' O ' ' HA ' ' A' ' 50' ' ' THR . 37.3 m-70 -89.57 46.41 1.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.546 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -81.89 65.66 7.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.3 mm -132.5 108.05 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.2 mt -98.55 74.47 2.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -167.79 153.56 7.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.544 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 9.7 pttt -115.23 57.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 60' ' ' LYS . . . 173.33 58.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -117.74 174.91 5.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -133.12 81.68 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.9 p -176.38 163.63 2.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.947 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 65' ' ' VAL . 6.7 p -88.46 38.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 31.5 m120 -130.54 9.14 5.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 p -76.21 134.86 39.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.013 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.533 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 35.8 t-105 -95.29 17.15 14.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 107.997 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.615 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 17.9 t80 -123.08 -3.87 8.53 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.781 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 4.6 ttmt -108.83 -41.8 4.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 29.6 m -64.2 -9.5 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.8 t -100.81 -50.25 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -96.72 26.58 4.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.57 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.613 ' CB ' HG21 ' A' ' 82' ' ' THR . 1.2 m-20 -83.36 121.24 26.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.29 -5.72 29.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -84.02 155.57 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -72.05 -162.79 6.01 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 79' ' ' ALA . . . 145.84 -173.12 26.3 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 78' ' ' GLY . . . -39.43 -45.86 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.507 ' HZ2' ' HA ' ' A' ' 37' ' ' CYS . 5.5 pttt -146.84 149.13 35.2 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -58.3 -172.29 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.335 3.356 . . . . 0.0 109.612 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.613 HG21 ' CB ' ' A' ' 74' ' ' ASP . 40.3 p -126.38 -166.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.394 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.4 m -79.89 -2.42 43.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 108.262 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 88' ' ' LYS . 3.9 mm -112.45 -43.08 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.96 -60.87 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 8.7 t -61.85 -57.54 11.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.331 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.515 ' CE1' HBC1 ' A' ' 116' ' ' HEC . 9.7 m170 -46.47 -34.39 4.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.598 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 84' ' ' ILE . 2.9 mmtp -66.23 -48.66 69.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -56.13 -40.7 74.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.3 mmtm -60.09 -39.1 84.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 98' ' ' LYS . . . -91.89 23.87 3.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.242 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -88.01 57.6 4.31 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 168.09 -58.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 0.736 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 96' ' ' GLU . 54.5 t0 -82.91 125.97 31.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -74.35 -42.04 60.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.449 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 14.6 tt0 -64.74 -27.29 68.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.913 HD22 ' HD3' ' A' ' 100' ' ' LYS . 0.8 OUTLIER -73.89 -21.41 60.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.518 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 13.0 ttmm -85.69 21.81 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -135.92 44.98 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.913 ' HD3' HD22 ' A' ' 97' ' ' LEU . 7.2 ptmm? -162.45 -48.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.712 ' O ' HMC1 ' A' ' 116' ' ' HEC . 13.6 mt -86.78 -32.14 20.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 36.6 p -118.53 7.81 11.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -63.6 116.57 9.42 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.75 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 0.8 OUTLIER -60.27 -57.79 11.28 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -121.21 138.71 54.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.08 42.04 37.84 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.2 p -116.87 179.21 4.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.783 . . . . 0.0 110.03 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.43 -10.82 60.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.859 ' O ' HG22 ' A' ' 22' ' ' VAL . 98.7 m -97.07 -47.83 5.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 108.342 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -118.47 84.04 22.74 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.606 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 49.6 Cg_endo -92.71 70.81 0.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.283 3.322 . . . . 0.0 109.606 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.849 HMC3 ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 0.798 HMC3 ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 1.026 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.802 HMD1 HBD1 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.6 t0 61.4 119.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 0.3 OUTLIER -54.46 116.41 10.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 3' ' ' VAL . 39.7 Cg_exo -42.14 165.22 0.03 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 124.293 3.328 . . . . 0.0 109.59 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.52 149.5 50.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.53 -179.17 5.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.58 39.7 78.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.147 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.57 112.61 21.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -71.1 144.84 50.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.692 HD11 ' HB2' ' A' ' 24' ' ' PHE . 11.2 mt -126.27 123.77 64.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.705 ' HB2' HG23 ' A' ' 21' ' ' THR . 5.7 t70 -158.97 91.52 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -116.11 -26.3 7.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.8 mt -103.22 102.54 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.22 144.95 25.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 159.5 -175.97 36.32 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.75 -178.42 32.51 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -42.42 -31.38 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 110.35 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.01 -74.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 163.78 126.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.5 mt -74.75 133.66 41.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.705 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -123.37 120.8 34.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 109' ' ' CYS . 76.0 t -101.34 149.73 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.7 t -111.96 144.0 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.692 ' HB2' HD11 ' A' ' 10' ' ' ILE . 37.1 t80 -134.31 146.76 50.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.426 ' OD1' ' CB ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -137.3 124.26 21.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -73.31 -18.97 61.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.581 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.8 p -85.52 10.5 12.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.961 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.485 HG21 HBA1 ' A' ' 115' ' ' HEC . 19.3 m -106.08 -40.1 5.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.383 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -101.98 23.35 11.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.639 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -56.6 -19.48 16.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -89.0 -0.47 57.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.484 HG12 ' CB ' ' A' ' 36' ' ' ASP . 45.1 t -111.11 131.8 61.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.304 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.796 ' O ' HMC3 ' A' ' 113' ' ' HEC . 20.7 mmtt -51.82 157.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.435 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 10.1 m -73.92 -41.58 61.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 108.29 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.8 p30 -66.88 -9.51 38.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.484 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.5 t70 -64.87 -18.54 65.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 81.1 m -131.23 -48.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 108.277 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -78.0 87.65 4.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.609 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.468 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 3.4 p80 -101.91 44.67 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.601 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.693 ' HG2' HMC2 ' A' ' 114' ' ' HEC . 1.2 mp0 -106.54 148.56 37.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 42' ' ' GLY . 11.1 Cg_endo -53.76 147.35 41.08 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.341 3.36 . . . . 0.0 109.62 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 43' ' ' ASP . . . -45.04 171.23 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.564 1.165 . . . . 0.0 111.011 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 42' ' ' GLY . 0.9 OUTLIER 81.3 -56.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -116.13 27.9 8.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -38.9 -40.72 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -106.58 88.58 2.8 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.809 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -127.14 -175.94 3.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.87 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -72.5 143.11 33.56 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.6 m -79.03 -35.02 43.37 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 18.2 p -89.37 20.0 4.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 27.7 m -65.78 156.79 32.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.076 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.402 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 35.6 t0 -55.31 153.59 6.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.61 15.82 19.83 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 51' ' ' THR . 13.2 m -129.6 -136.62 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 50' ' ' THR . 41.1 m-70 -88.4 44.19 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.614 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -81.97 67.09 7.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.437 HG23 ' OD2' ' A' ' 59' ' ' ASP . 3.7 mm -133.28 108.59 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.2 mt -100.2 10.02 41.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.437 ' OD2' HG23 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -100.37 69.64 1.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.647 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 13.3 ptmt -42.04 141.58 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 60' ' ' LYS . . . 81.37 49.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -109.59 175.68 5.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -123.4 83.86 2.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.3 p -175.98 161.57 2.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.657 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.4 p -88.41 38.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 31.1 m120 -134.23 10.41 3.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 p -77.98 134.1 37.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.514 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 35.6 t-105 -93.11 14.09 18.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 108.022 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.63 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 8.1 t80 -120.79 -10.48 9.14 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.844 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.548 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 18.2 ttpp -98.98 -44.77 6.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.6 m -63.8 -7.88 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.5 t -104.59 -45.86 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -102.39 29.74 5.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.584 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.596 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.5 OUTLIER -87.51 107.46 18.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.54 -28.44 31.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.64 146.48 51.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -67.44 -151.77 0.25 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 80' ' ' LYS . . . 144.1 -169.93 26.09 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.05 -23.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 0.769 . . . . 0.0 109.352 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.427 ' HZ3' ' CG ' ' A' ' 39' ' ' HIS . 6.4 ptmt -157.61 160.33 30.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -77.81 -170.17 0.9 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.332 3.355 . . . . 0.0 109.631 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.596 HG21 ' HB2' ' A' ' 74' ' ' ASP . 30.3 p -137.4 -165.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.396 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.8 m -78.56 -4.31 48.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 108.287 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 88' ' ' LYS . 3.9 mm -111.77 -43.53 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.91 -62.33 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 17.2 t -60.04 -55.84 29.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 108.332 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.422 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 7.2 m170 -47.15 -38.47 11.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.579 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 84' ' ' ILE . 8.6 mttt -60.42 -46.06 91.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -56.81 -40.65 76.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -63.29 -41.09 98.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.627 ' HB1' ' HB2' ' A' ' 98' ' ' LYS . . . -69.1 -79.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 73.24 -120.2 7.03 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -38.61 36.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 0.732 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -54.71 100.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -69.7 -32.76 71.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -66.37 -24.09 66.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.738 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -88.09 -30.81 19.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.627 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 23.8 ttpp -79.3 8.02 6.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -120.33 44.58 2.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 107' ' ' SER . 6.5 ptmt -166.3 -46.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.544 ' O ' HMC1 ' A' ' 116' ' ' HEC . 15.4 mt -87.72 -29.77 20.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.403 ' HA ' HMC2 ' A' ' 116' ' ' HEC . 28.6 p -122.04 4.59 9.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.36 127.54 45.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.751 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 0.9 OUTLIER -71.7 -54.26 10.87 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -121.28 131.46 54.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.42 44.67 12.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 47.6 p -115.7 176.96 4.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 0.77 . . . . 0.0 110.037 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.27 -7.61 43.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.458 ' O ' HG22 ' A' ' 22' ' ' VAL . 85.6 m -102.75 -46.22 4.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 108.31 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -117.41 83.54 16.73 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.589 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 43.3 Cg_endo -91.67 73.61 0.71 Allowed 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.294 3.329 . . . . 0.0 109.598 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.99 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.796 HMC3 ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 0.87 HMC3 ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 1.006 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.823 HMC1 HBC3 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 60.1 114.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.8 OUTLIER -54.5 120.43 26.71 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 3' ' ' VAL . 41.7 Cg_exo -40.55 162.99 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.296 3.33 . . . . 0.0 109.653 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.24 152.7 22.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.302 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -56.64 -164.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' N ' ' OD2' ' A' ' 6' ' ' ASP . . . 80.97 -0.65 86.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 135.59 57.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.256 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.538 ' HG2' HG22 ' A' ' 23' ' ' VAL . 61.4 mttt -118.76 137.66 53.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.475 HG22 ' O2D' ' A' ' 116' ' ' HEC . 6.0 mt -111.65 126.64 69.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.568 ' HB2' HG23 ' A' ' 21' ' ' THR . 2.9 t70 -161.36 86.24 0.67 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -113.7 -26.9 8.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.7 mt -94.22 104.6 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 64.28 179.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -158.19 -142.04 3.3 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.452 ' O ' ' ND2' ' A' ' 19' ' ' ASN . . . 79.9 -150.3 32.33 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -89.07 -36.22 15.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.18 46.83 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 16' ' ' GLY . 4.5 p-10 -105.76 130.33 53.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.501 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 12.2 mt -81.2 90.06 6.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.568 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.6 m -89.97 111.69 22.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.614 HG22 ' O ' ' A' ' 109' ' ' CYS . 75.0 t -96.84 125.16 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.538 HG22 ' HG2' ' A' ' 9' ' ' LYS . 91.3 t -88.49 146.64 5.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -138.87 147.82 42.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 49.5 t-20 -133.3 141.29 47.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.449 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 17.5 m80 -86.53 -20.45 27.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.601 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.79 6.93 16.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.52 HG21 HBA1 ' A' ' 115' ' ' HEC . 92.0 m -103.23 -40.38 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 110.396 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -100.86 23.81 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.636 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -19.23 13.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.31 2.06 53.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.574 HG12 ' CB ' ' A' ' 36' ' ' ASP . 20.0 t -115.73 131.88 66.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.86 ' O ' HMC3 ' A' ' 113' ' ' HEC . 23.2 mttm -53.49 163.39 0.64 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.485 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 9.8 m -76.46 -42.94 41.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 108.269 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.5 p30 -65.87 -9.28 27.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.574 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.3 t0 -65.54 -17.6 64.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.45 ' HA ' ' NZ ' ' A' ' 80' ' ' LYS . 93.9 m -132.02 -49.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.3 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -76.99 76.75 3.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.622 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.472 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 3.4 p80 -88.09 43.93 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.656 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.665 ' HG2' HMC2 ' A' ' 114' ' ' HEC . 1.4 mp0 -107.77 145.98 32.46 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.47 149.0 68.99 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.323 3.349 . . . . 0.0 109.585 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 43' ' ' ASP . . . -44.49 170.09 0.01 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.467 1.104 . . . . 0.0 110.961 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 42' ' ' GLY . 1.4 m-20 81.45 -53.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.98 ' HG3' ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -120.6 32.44 5.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -46.12 -48.37 17.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -101.01 89.21 3.75 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.801 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.98 ' HB2' ' HG3' ' A' ' 44' ' ' LYS . . . -128.33 -176.46 3.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.625 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -76.95 140.11 24.41 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.6 m -74.78 -31.19 61.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.7 p -90.24 22.93 3.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 91.6 m -72.6 156.09 39.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.413 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 15.9 t0 -55.92 154.67 7.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.51 23.5 35.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.567 1.167 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 18.3 m -136.64 -130.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.413 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 49.6 m-70 -95.34 50.05 1.23 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 109.568 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -87.39 65.05 8.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.17 . . . . 0.0 109.337 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.7 mm -131.21 109.72 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.8 mt -100.89 41.01 1.21 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.4 OUTLIER -139.3 104.51 5.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.22 59.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 59' ' ' ASP . . . -176.44 54.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -115.58 169.11 9.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.17 -29.68 6.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 m -63.58 160.91 15.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.011 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.0 p -85.97 41.66 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.236 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.413 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 1.9 m-20 -126.4 12.67 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.405 ' OG ' ' CB ' ' A' ' 70' ' ' LYS . 94.7 p -75.21 133.09 41.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.517 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 39.9 t-105 -96.74 16.27 19.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 108.022 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 11.7 t80 -123.92 -4.08 8.09 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.848 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.571 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 9.6 ttpp -107.83 -42.56 4.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 34.8 m -64.27 -8.36 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.0 t -102.35 -43.37 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -106.22 34.45 3.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.596 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.571 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -101.14 123.35 45.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -98.5 8.56 44.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' O ' ' OD1' ' A' ' 74' ' ' ASP . 6.9 tttp -90.99 153.48 20.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.41 -163.77 4.74 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.435 ' C ' ' N ' ' A' ' 80' ' ' LYS . . . 145.69 -174.23 25.74 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.96 -28.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 109.32 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.45 ' NZ ' ' HA ' ' A' ' 37' ' ' CYS . 4.5 ptmt -163.7 149.57 9.57 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.77 -172.09 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.31 3.34 . . . . 0.0 109.608 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 46.9 p -123.46 -165.61 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.424 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.7 m -82.85 1.9 36.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 108.298 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.454 HD13 ' HA ' ' A' ' 84' ' ' ILE . 9.6 mm -114.7 -43.48 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 m -53.52 -61.4 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.8 t -61.69 -58.55 7.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 108.281 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.42 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 7.2 m170 -45.56 -39.24 7.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.62 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.536 ' HE3' HG21 ' A' ' 102' ' ' THR . 9.6 mmtp -59.6 -49.58 77.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -54.39 -40.34 68.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.381 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -63.51 -44.6 93.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.662 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -92.02 21.23 5.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.413 ' O ' ' CB ' ' A' ' 93' ' ' ASP . . . -86.35 61.45 4.44 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.413 ' CB ' ' O ' ' A' ' 92' ' ' GLY . 1.0 OUTLIER 161.0 -56.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 0.788 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 96' ' ' GLU . 52.0 t0 -78.56 125.22 29.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 1.085 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -72.69 -40.24 66.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.444 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 7.6 tp10 -64.99 -24.82 67.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.662 HD12 ' HB2' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -79.61 -21.78 44.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -85.96 22.03 1.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -142.27 46.83 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 107' ' ' SER . 7.4 ptmt -167.86 -44.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.355 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.663 ' O ' HMC1 ' A' ' 116' ' ' HEC . 12.7 mt -92.02 -33.42 14.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.536 HG21 ' HE3' ' A' ' 88' ' ' LYS . 21.6 p -121.35 7.81 10.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -62.62 113.21 5.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.762 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 1.0 OUTLIER -56.25 -53.05 61.86 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -124.6 135.71 53.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.122 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.41 46.22 12.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 54.2 p -120.46 -179.32 3.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.16 -4.05 33.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.614 ' O ' HG22 ' A' ' 22' ' ' VAL . 92.5 m -105.2 -48.49 3.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 108.302 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -117.75 82.84 17.02 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.629 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 43.9 Cg_endo -92.32 69.49 0.75 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.26 3.307 . . . . 0.0 109.575 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.984 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.86 HMC3 ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 0.665 HMC2 ' HG2' ' A' ' 40' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 1.029 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.798 HMD1 HBD1 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 1' ' ' VAL . 2.2 p . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.3 t0 57.21 105.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -55.97 121.2 39.13 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -39.62 161.76 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.206 0 C-N-CA 124.316 3.344 . . . . 0.0 109.601 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -88.29 154.92 20.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' ALA . 2.7 p-10 -53.63 -172.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.12 39.53 62.76 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.51 112.93 24.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -90.79 133.35 35.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.428 HG23 ' O2D' ' A' ' 113' ' ' HEC . 19.2 mt -114.12 115.69 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.638 ' HB2' HG23 ' A' ' 21' ' ' THR . 11.7 t70 -151.34 93.31 1.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.454 ' CE2' ' O2D' ' A' ' 113' ' ' HEC . 23.3 m-85 -115.17 -26.73 7.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.9 mt -96.75 84.29 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.65 174.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -144.45 -102.1 0.37 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.549 1.155 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -173.28 -92.23 0.08 OUTLIER Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -48.93 -31.67 7.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -157.87 -159.11 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -171.14 125.61 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.495 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 28.0 mt -75.42 115.14 14.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.638 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.4 m -109.94 111.59 23.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.376 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 109' ' ' CYS . 72.6 t -91.46 141.63 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.3 t -106.78 135.11 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.363 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.414 ' HB2' HD11 ' A' ' 10' ' ' ILE . 38.7 t80 -127.21 148.2 50.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -135.34 125.68 26.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -74.32 -9.65 58.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.624 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 p -93.3 15.3 15.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.959 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.499 HG21 HBA1 ' A' ' 115' ' ' HEC . 62.8 m -113.71 -37.71 4.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.381 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -101.98 23.17 11.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.636 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -19.6 15.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -87.14 0.08 55.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.487 HG11 HBC2 ' A' ' 115' ' ' HEC . 34.6 t -113.73 130.38 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.845 ' O ' HMC3 ' A' ' 113' ' ' HEC . 32.9 mttm -52.09 158.94 0.99 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.485 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 10.1 m -74.42 -41.76 60.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 108.304 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -67.47 -8.96 37.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.484 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.3 t70 -65.43 -18.15 65.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 95.2 m -130.77 -48.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 108.269 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -77.37 86.28 3.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.597 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 5.3 p80 -97.63 60.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.627 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.641 ' OE1' HBC2 ' A' ' 114' ' ' HEC . 34.6 mm-40 -130.55 170.62 10.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.512 ' CD ' ' HB3' ' A' ' 40' ' ' GLN . 14.0 Cg_exo -72.99 147.62 43.73 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.304 3.336 . . . . 0.0 109.563 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 43' ' ' ASP . . . -41.17 -55.38 3.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 42' ' ' GLY . 0.3 OUTLIER -39.25 -39.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.439 ' HD2' ' HB2' ' A' ' 47' ' ' ALA . 11.3 mmtm -126.85 37.28 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.489 ' HG2' ' CZ ' ' A' ' 46' ' ' TYR . 1.0 OUTLIER -38.24 -52.1 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.489 ' CZ ' ' HG2' ' A' ' 45' ' ' GLN . 21.2 m-85 -117.59 93.4 4.14 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.842 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.439 ' HB2' ' HD2' ' A' ' 44' ' ' LYS . . . -122.52 -178.45 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.702 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -77.29 139.68 23.56 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.6 m -74.66 -31.78 62.04 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.6 p -90.26 22.22 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 87.7 m -71.44 155.43 40.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.412 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -55.0 152.09 8.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.78 25.94 52.96 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.5 m -138.58 -132.76 0.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 47.9 m-70 -92.97 49.69 1.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.564 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -90.69 67.0 6.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.3 mm -133.02 108.44 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 63.7 mt -101.1 26.83 6.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.09 78.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.625 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -50.75 142.31 11.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 60' ' ' LYS . . . 79.57 43.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -107.5 177.09 4.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -122.8 85.54 2.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.5 155.12 1.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.996 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 65' ' ' VAL . 4.3 p -80.76 3.79 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.107 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.402 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 29.0 m120 -97.37 9.57 41.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 p -75.68 134.08 40.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.538 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 29.0 t-105 -96.42 14.88 22.96 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.642 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 13.4 t80 -119.84 -7.32 10.01 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.828 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.571 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 11.4 ttmm -101.16 -43.74 5.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 26.4 m -64.75 -9.09 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.3 t -100.83 -57.25 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -91.62 24.4 3.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.558 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.761 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.4 OUTLIER -71.89 124.12 24.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.94 9.11 17.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -145.43 83.22 1.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.259 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.47 150.86 17.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -119.75 -72.62 0.36 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.47 -42.71 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.435 ' HZ2' ' CG ' ' A' ' 39' ' ' HIS . 7.4 ptmt -157.49 160.73 30.14 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -80.48 -171.24 1.19 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.28 3.32 . . . . 0.0 109.607 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.761 HG21 ' CB ' ' A' ' 74' ' ' ASP . 25.4 p -138.77 -165.0 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.41 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m -77.5 -5.68 50.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 108.346 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 88' ' ' LYS . 9.4 mm -110.14 -44.01 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.69 -60.57 3.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.969 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.4 t -60.23 -58.0 10.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.272 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.4 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 8.8 m170 -47.1 -38.14 10.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.585 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -61.32 -47.88 83.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -55.49 -40.16 71.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -62.99 -41.22 99.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.545 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -92.99 21.7 5.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.401 ' C ' ' OD1' ' A' ' 93' ' ' ASP . . . -85.35 57.97 4.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' A' ' 92' ' ' GLY . 2.4 p-10 164.84 -57.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 96' ' ' GLU . 57.5 t0 -79.16 121.43 25.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -70.98 -38.28 72.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.446 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 29.3 mt-10 -66.13 -27.36 67.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.729 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -76.23 -19.98 57.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -86.37 23.8 1.51 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -142.92 47.76 1.52 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.421 ' HE2' HD22 ' A' ' 97' ' ' LEU . 7.1 ptmt -167.91 -45.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.625 ' O ' HMC1 ' A' ' 116' ' ' HEC . 19.3 mt -90.52 -30.7 17.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.454 ' HA ' HMC2 ' A' ' 116' ' ' HEC . 25.8 p -122.35 0.87 9.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.368 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.56 119.72 17.76 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.773 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 1.3 m -62.52 -49.67 74.42 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.95 137.36 54.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.25 40.43 49.49 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 35.4 p -110.92 176.19 5.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.4 -5.12 37.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.492 ' O ' HG22 ' A' ' 22' ' ' VAL . 93.5 m -103.88 -46.17 4.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 108.303 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -117.44 83.76 17.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.591 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 49.0 Cg_endo -90.99 72.16 1.01 Allowed 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.276 3.317 . . . . 0.0 109.614 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 110.016 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.845 HMC3 ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 0.729 HBB3 HMB1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 1.001 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.825 HMC1 HBC3 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.494 ' N ' HMB3 ' A' ' 113' ' ' HEC . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 t70 175.97 72.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.757 HG22 ' HB3' ' A' ' 26' ' ' HIS . 0.4 OUTLIER -53.21 108.81 1.2 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -51.73 162.82 1.49 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.308 3.339 . . . . 0.0 109.592 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.43 151.03 24.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -52.48 -175.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.29 0.78 87.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 24' ' ' PHE . . . -61.16 138.19 58.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' HG2' HG22 ' A' ' 23' ' ' VAL . 19.4 mttp -121.13 136.63 54.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.454 HD11 ' HB2' ' A' ' 24' ' ' PHE . 8.7 mt -111.19 131.16 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.445 ' HB2' HG23 ' A' ' 21' ' ' THR . 3.7 t70 -165.07 92.78 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -115.54 -27.34 7.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.8 mt -96.58 100.9 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.43 99.63 4.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.92 -170.4 30.8 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . 77.18 175.95 43.39 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' GLY . 4.7 mm-40 -38.5 -49.44 1.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 0.74 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.12 -57.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.373 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.7 p30 170.23 114.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.489 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 14.5 mt -74.97 111.73 10.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.445 HG23 ' HB2' ' A' ' 11' ' ' ASP . 2.6 m -108.81 112.15 24.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.455 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 109' ' ' CYS . 77.1 t -93.93 130.9 42.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.456 HG22 ' HG2' ' A' ' 9' ' ' LYS . 65.3 t -94.63 130.59 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.47 ' CE1' ' CE1' ' A' ' 29' ' ' HIS . 35.6 t80 -126.0 143.5 51.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -127.71 126.97 42.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.757 ' HB3' HG22 ' A' ' 3' ' ' VAL . 5.6 m80 -74.34 -19.25 60.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.576 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.0 p -86.95 14.12 7.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.531 HG21 HBA1 ' A' ' 115' ' ' HEC . 92.7 m -110.06 -33.72 6.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.47 ' CE1' ' CE1' ' A' ' 24' ' ' PHE . 56.6 m80 -105.35 22.21 15.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.572 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -19.04 14.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.3 -2.01 57.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.577 HG12 ' CB ' ' A' ' 36' ' ' ASP . 12.0 t -114.02 134.94 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.864 ' O ' HMC3 ' A' ' 113' ' ' HEC . 38.1 mttt -55.52 161.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.498 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 8.9 m -75.41 -41.66 55.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 108.256 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -67.05 -8.64 31.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.577 ' CB ' HG12 ' A' ' 32' ' ' VAL . 2.2 t70 -64.72 -18.94 65.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 72.3 m -131.39 -49.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 108.309 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.404 ' HB3' ' O ' ' A' ' 45' ' ' GLN . 98.0 m-70 -73.4 70.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 1.9 p80 -85.27 49.33 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.591 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.723 ' CG ' HMC2 ' A' ' 114' ' ' HEC . 2.6 mp0 -108.16 130.03 23.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -86.33 155.01 9.4 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.317 3.345 . . . . 0.0 109.576 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' C ' ' N ' ' A' ' 44' ' ' LYS . . . 82.98 163.89 34.84 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.37 -27.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.956 ' HG2' ' HB2' ' A' ' 47' ' ' ALA . 2.8 tttt -85.12 48.9 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.238 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.404 ' O ' ' HB3' ' A' ' 38' ' ' HIS . 37.8 tt0 -75.82 -18.03 59.62 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 110.248 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -119.14 67.42 0.79 Allowed 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.855 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.956 ' HB2' ' HG2' ' A' ' 44' ' ' LYS . . . -112.15 -176.22 2.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.742 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -73.63 149.49 41.81 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.3 m -79.78 -30.44 40.65 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.3 p -89.81 21.45 3.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.368 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 27.9 m -70.04 156.35 39.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.341 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 8.7 m-20 -56.62 154.4 8.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.22 19.98 26.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 17.4 m -132.74 -131.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -94.58 48.44 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.616 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -85.16 65.94 9.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.0 mm -133.06 119.04 35.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.8 mt -111.59 8.58 20.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -97.66 70.27 2.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.581 ' HG3' ' CD2' ' A' ' 69' ' ' TYR . 0.8 OUTLIER -39.24 150.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 60' ' ' LYS . . . 68.53 45.65 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -103.63 177.98 4.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.11 84.6 2.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.92 161.44 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.989 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.0 p -85.57 11.87 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -106.85 9.21 30.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.1 p -75.48 135.48 40.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.524 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 33.2 t-105 -95.58 14.3 23.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 108.012 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.645 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 5.2 t80 -119.88 -9.91 9.6 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.857 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.589 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 16.1 ttpp -98.44 -45.06 6.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 29.3 m -63.03 -8.89 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 83.9 t -105.31 -42.12 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -107.14 34.32 3.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.629 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.589 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -97.27 127.87 43.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -111.68 26.15 10.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -118.55 153.1 34.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -115.11 -172.82 17.46 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.718 ' O ' ' HB2' ' A' ' 79' ' ' ALA . . . 123.87 38.45 0.53 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 78' ' ' GLY . . . 159.77 -52.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.423 ' NZ ' ' CB ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -163.41 159.83 17.98 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -80.26 -169.89 0.89 Allowed 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.355 3.37 . . . . 0.0 109.553 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.498 HG21 ' HB3' ' A' ' 74' ' ' ASP . 35.8 p -138.83 -166.54 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.444 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.5 m -77.72 -4.77 47.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 108.304 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 88' ' ' LYS . 3.2 mm -111.53 -43.66 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.82 -62.43 1.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.975 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 17.7 t -60.21 -56.33 22.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 108.315 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.416 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 8.8 m170 -46.49 -38.5 9.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.592 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 84' ' ' ILE . 10.8 mtpt -60.06 -46.27 90.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -56.85 -40.89 76.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -62.02 -40.07 94.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.445 ' HB1' ' HB2' ' A' ' 98' ' ' LYS . . . -92.49 22.11 4.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -85.27 62.95 4.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 163.88 -58.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 96' ' ' GLU . 53.7 t0 -84.29 124.97 31.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.65 -41.74 62.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.454 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 15.0 tt0 -64.78 -27.92 69.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.909 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -72.89 -21.34 60.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.445 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 24.4 ttpp -85.3 16.55 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.08 44.35 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.881 ' HD2' HD22 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -163.33 -47.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.56 ' O ' HMC1 ' A' ' 116' ' ' HEC . 11.0 mt -88.24 -31.02 19.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.9 p -121.75 8.66 10.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.437 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.57 129.07 33.31 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.743 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 0.8 OUTLIER -69.96 -57.3 5.18 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -120.39 139.21 53.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.26 39.22 52.67 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 59.9 p -112.64 179.87 3.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 0.795 . . . . 0.0 110.061 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.44 -2.76 30.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.703 ' O ' HG22 ' A' ' 22' ' ' VAL . 86.5 m -105.66 -47.99 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 108.303 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -118.09 82.74 18.24 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 43.7 Cg_endo -92.35 70.27 0.71 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.306 3.337 . . . . 0.0 109.638 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.864 HMC3 ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 0.742 HMC3 ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 1.026 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.804 HMD1 HBD1 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.6 p . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' A' ' 1' ' ' VAL . 0.7 OUTLIER 56.96 112.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -54.49 121.12 30.75 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 3' ' ' VAL . 34.9 Cg_exo -40.22 162.7 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.288 3.325 . . . . 0.0 109.602 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -86.79 153.18 21.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 5' ' ' ALA . 0.8 OUTLIER -55.42 -167.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.74 33.81 71.63 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.441 1.088 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.424 ' O ' ' HA ' ' A' ' 23' ' ' VAL . . . -89.13 137.12 32.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -117.63 135.5 53.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.43 HG22 ' O1D' ' A' ' 116' ' ' HEC . 12.1 mt -113.36 124.72 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.599 ' HB2' HG23 ' A' ' 21' ' ' THR . 8.7 t0 -156.65 90.1 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -115.41 -25.15 8.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 71.9 mt -100.06 86.43 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.77 174.63 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -140.62 -60.32 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 153.77 -81.29 0.18 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -64.52 -47.42 78.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -140.3 -160.19 1.04 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -169.51 132.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.489 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 33.5 mt -74.74 94.27 2.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.599 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.1 m -89.65 111.64 22.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.358 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 109' ' ' CYS . 55.0 t -91.9 137.71 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 95.8 t -103.35 134.43 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.075 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.458 ' CE1' ' CE1' ' A' ' 29' ' ' HIS . 28.9 t80 -124.07 169.2 11.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.046 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -151.81 125.4 8.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -76.78 -17.26 59.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.592 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.2 p -88.26 15.81 7.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.527 HG21 HBA1 ' A' ' 115' ' ' HEC . 94.3 m -114.27 -32.13 6.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.401 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.458 ' CE1' ' CE1' ' A' ' 24' ' ' PHE . 51.3 m80 -107.01 22.34 16.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.607 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.55 -18.69 12.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.75 -2.63 58.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.566 HG12 ' CB ' ' A' ' 36' ' ' ASP . 21.6 t -112.47 129.18 68.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.834 ' O ' HMC3 ' A' ' 113' ' ' HEC . 6.2 mmtm -51.11 159.83 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.462 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 10.7 m -74.32 -40.8 61.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 108.356 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -68.46 -8.17 38.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.566 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.6 t70 -66.1 -18.09 65.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 87.2 m -131.5 -48.88 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 108.333 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -76.6 79.24 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.618 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.47 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 4.3 p80 -91.31 43.73 1.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.582 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.678 ' HG2' HMC2 ' A' ' 114' ' ' HEC . 1.4 mp0 -107.97 149.44 39.09 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 42' ' ' GLY . 10.7 Cg_endo -53.33 152.66 19.27 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.337 3.358 . . . . 0.0 109.576 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 41' ' ' PRO . . . -48.63 179.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 71.68 -64.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 45' ' ' GLN . 5.0 ptpt -105.82 23.26 14.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 44' ' ' LYS . 5.5 tt0 -38.09 -38.03 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -106.26 83.37 1.88 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.818 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -120.44 -177.06 3.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.837 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -74.91 143.97 31.76 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.2 m -78.88 -32.03 45.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.2 p -90.79 20.21 4.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 26.9 m -67.38 155.83 37.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.4 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.6 OUTLIER -55.75 154.43 6.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.44 16.13 19.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.1 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 51' ' ' THR . 13.7 m -130.07 -134.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.421 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 41.1 m-70 -90.97 45.52 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.579 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -85.98 67.8 10.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.4 mm -132.74 109.26 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 81.2 mt -102.77 61.89 0.81 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' ALA . 1.2 t0 -152.81 101.08 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.59 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 1.6 ptpp? -69.45 59.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 60' ' ' LYS . . . 170.77 59.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -120.31 177.38 5.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -135.81 83.61 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.0 p -176.31 164.95 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 65' ' ' VAL . 4.5 p -88.53 39.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.421 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 29.5 m120 -132.71 9.13 4.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.74 134.39 38.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.03 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.532 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 33.2 t-105 -93.52 15.78 15.2 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.612 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 14.5 t80 -122.23 -2.99 9.01 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.822 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 5.4 ttmt -107.39 -42.77 4.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.3 m -64.43 -8.25 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.6 t -102.17 -53.75 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -94.24 25.32 3.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 109.598 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.74 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.7 OUTLIER -77.16 99.18 5.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.47 0.92 47.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -100.64 140.15 35.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.04 -157.71 0.04 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.419 ' C ' ' N ' ' A' ' 80' ' ' LYS . . . 145.52 -171.13 26.66 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.35 -25.39 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 0.776 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' A' ' 78' ' ' GLY . 6.7 ptmt -156.5 159.96 31.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -77.32 -169.93 0.84 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.33 3.354 . . . . 0.0 109.59 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.74 HG21 ' CB ' ' A' ' 74' ' ' ASP . 28.1 p -137.51 -165.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.386 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.3 m -77.69 -6.62 54.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 0.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.42 ' O ' ' HB2' ' A' ' 88' ' ' LYS . 2.8 mm -109.99 -45.03 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.37 -61.8 2.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.04 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.9 t -58.58 -55.63 32.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 108.319 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.434 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 10.0 m170 -47.31 -33.91 6.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.59 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.472 ' HE3' ' CB ' ' A' ' 102' ' ' THR . 0.0 OUTLIER -61.85 -46.37 89.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -55.53 -41.11 72.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.557 ' HE2' HMD3 ' A' ' 115' ' ' HEC . 20.1 mmtm -64.35 -40.06 95.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.469 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -94.75 25.56 4.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.594 ' O ' ' CB ' ' A' ' 93' ' ' ASP . . . -77.93 108.65 2.66 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.594 ' CB ' ' O ' ' A' ' 92' ' ' GLY . 10.1 t0 89.27 -19.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.276 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -95.19 113.64 25.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.22 -35.49 55.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -68.01 -44.29 76.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.744 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -68.98 -16.45 63.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -86.19 24.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -142.08 47.4 1.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.349 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.731 ' HD2' HD22 ' A' ' 97' ' ' LEU . 8.8 ptpt -167.38 -47.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.593 ' O ' HMC1 ' A' ' 116' ' ' HEC . 15.3 mt -88.76 -32.59 17.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.472 ' CB ' ' HE3' ' A' ' 88' ' ' LYS . 23.9 p -121.61 13.59 10.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.436 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -70.56 130.93 21.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.779 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 1.2 m -74.1 -52.48 12.48 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.741 ' HD2' ' OXT' ' A' ' 112' ' ' SER . 1.4 tppp? -118.71 130.71 55.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.03 44.16 19.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 66.2 p -112.29 172.97 6.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.774 . . . . 0.0 110.011 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.76 -7.38 39.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.549 ' O ' HG22 ' A' ' 22' ' ' VAL . 84.7 m -102.95 -45.81 4.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 108.315 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -117.01 83.88 15.46 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.567 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 44.1 Cg_endo -91.43 71.55 0.93 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.321 3.347 . . . . 0.0 109.581 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.741 ' OXT' ' HD2' ' A' ' 105' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.956 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.834 HMC3 ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 0.837 HMC3 ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 1.003 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.836 HMC1 HBC3 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.4 ' O ' HG22 ' A' ' 1' ' ' VAL . 1.5 p . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.87 113.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -54.8 119.83 24.32 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 3' ' ' VAL . 41.4 Cg_exo -41.12 163.61 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.367 3.378 . . . . 0.0 109.568 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.19 150.27 24.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.78 -164.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.66 27.83 73.56 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.54 138.54 36.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 0.798 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.895 ' HD3' HG22 ' A' ' 23' ' ' VAL . 12.4 mmtm -114.85 133.74 55.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.404 HG22 ' O1D' ' A' ' 116' ' ' HEC . 10.5 mt -115.46 125.69 72.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.5 ' HB2' HG23 ' A' ' 21' ' ' THR . 5.6 t0 -160.94 90.51 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -115.16 -26.1 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.43 HG21 ' HD3' ' A' ' 60' ' ' LYS . 86.3 mt -97.28 98.13 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.56 168.49 4.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -151.43 -157.67 7.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.33 79.3 0.92 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 72.82 -52.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 110.313 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -76.93 -165.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.447 HD22 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER 178.32 131.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.483 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 19.8 mt -74.81 90.84 2.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.5 HG23 ' HB2' ' A' ' 11' ' ' ASP . 0.2 OUTLIER -82.88 113.88 20.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 110.399 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.2 t -98.86 146.28 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.895 HG22 ' HD3' ' A' ' 9' ' ' LYS . 84.5 t -107.9 148.82 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -142.95 132.17 23.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -114.13 124.24 51.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -73.89 -17.14 61.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.576 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.4 p -88.9 13.97 11.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.504 HG21 HBA1 ' A' ' 115' ' ' HEC . 52.8 m -111.09 -35.87 5.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.375 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -101.96 23.75 11.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.641 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -56.2 -21.7 24.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.96 -1.54 56.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.447 HG12 ' CB ' ' A' ' 36' ' ' ASP . 59.8 t -112.27 126.12 69.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.816 ' O ' HMC3 ' A' ' 113' ' ' HEC . 14.8 mttt -50.26 158.02 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.449 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 9.9 m -73.08 -41.13 64.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 108.286 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -67.99 -8.71 39.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.447 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.9 t70 -65.93 -18.49 65.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 97.8 m -130.77 -48.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 108.344 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -77.37 81.23 3.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.58 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 2.6 p80 -95.74 48.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.585 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.611 ' HG2' HMC2 ' A' ' 114' ' ' HEC . 2.7 mp0 -108.04 136.93 19.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -85.71 154.35 10.23 Favored 'Trans proline' 0 N--CA 1.446 -1.266 0 C-N-CA 124.333 3.355 . . . . 0.0 109.619 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.92 168.28 40.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.65 -19.39 26.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 0.734 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.14 44.8 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.473 ' OE1' ' CZ ' ' A' ' 46' ' ' TYR . 3.5 tt0 -53.17 -28.27 25.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.473 ' CZ ' ' OE1' ' A' ' 45' ' ' GLN . 14.6 m-85 -108.62 102.54 11.6 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.837 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.79 178.57 7.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.618 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -70.52 137.92 28.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.104 . . . . 0.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.8 m -74.98 -28.64 60.64 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.5 p -92.29 23.51 3.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.381 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 91.1 m -73.1 155.56 39.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.435 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -54.92 153.68 6.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.11 25.35 46.57 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.7 m -138.8 -132.38 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -94.02 50.86 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.585 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -90.17 64.45 6.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.4 ' CG1' ' O ' ' A' ' 66' ' ' ASN . 3.3 mm -133.13 109.47 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.9 mt -101.21 73.09 1.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -158.77 121.77 3.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 6.6 mtmm -86.76 47.04 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 60' ' ' LYS . . . 178.49 58.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -117.39 177.59 4.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -134.76 84.93 2.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.53 161.58 2.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.97 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 65' ' ' VAL . 4.4 p -83.91 8.19 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.4 ' O ' ' CG1' ' A' ' 57' ' ' ILE . 28.7 m120 -102.37 13.05 35.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.4 p -78.32 132.62 37.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.526 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 32.8 t-105 -95.19 14.78 21.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 107.973 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.606 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 10.8 t80 -121.67 -2.73 9.33 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.78 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 19.0 ttpp -106.29 -42.39 5.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.0 m -66.35 -6.42 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 75.2 t -103.78 -44.89 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -107.93 35.21 3.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.615 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.848 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.4 OUTLIER -89.37 92.9 9.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.22 -29.83 70.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -69.89 152.75 44.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -72.96 -151.32 1.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.421 ' C ' ' N ' ' A' ' 80' ' ' LYS . . . 144.46 -172.58 25.42 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.28 -27.62 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.421 ' N ' ' C ' ' A' ' 78' ' ' GLY . 3.5 ptmt -154.82 162.24 27.6 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -88.42 145.7 6.0 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.283 3.322 . . . . 0.0 109.629 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.848 HG21 ' HB2' ' A' ' 74' ' ' ASP . 25.6 p -91.05 -157.86 0.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.423 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 87' ' ' HIS . 3.9 m -75.37 -53.67 8.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 108.324 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.631 HD11 HMC2 ' A' ' 116' ' ' HEC . 0.8 OUTLIER -64.08 -38.25 81.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -53.49 -61.43 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.017 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 10.4 t -64.11 -59.27 4.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 108.315 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.453 ' HB2' ' O ' ' A' ' 83' ' ' CYS . 12.7 m170 -43.94 -38.42 3.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.572 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 84' ' ' ILE . 3.7 mmtm -59.24 -50.53 73.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -57.72 -39.94 78.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -59.67 -40.67 88.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.53 ' HB1' ' HB2' ' A' ' 98' ' ' LYS . . . -93.62 22.22 5.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -88.17 61.71 3.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 164.62 -57.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.446 0.733 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.439 ' HB3' ' CB ' ' A' ' 97' ' ' LEU . 56.2 t0 -84.34 126.01 32.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -74.13 -42.04 60.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.434 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 6.8 tp10 -64.82 -26.9 68.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.896 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER -73.83 -22.76 59.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.53 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 10.3 ttmm -85.48 22.69 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -132.95 50.45 2.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.421 ' HD2' HD22 ' A' ' 97' ' ' LEU . 10.5 ptpt -173.04 -41.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.609 HD11 ' CGD' ' A' ' 115' ' ' HEC . 8.2 mt -92.23 -32.32 15.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.468 ' O ' ' C ' ' A' ' 103' ' ' GLY . 6.1 p -133.14 9.81 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.424 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 104' ' ' CYS . . . -31.46 -54.36 0.32 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.5 OUTLIER 89.7 -41.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -132.66 96.87 3.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 89.03 46.35 4.5 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 54.5 p -104.65 -170.58 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 110.001 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.06 2.11 25.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.339 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.454 ' O ' ' HD3' ' A' ' 111' ' ' PRO . 93.2 m -112.92 -49.66 2.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 108.274 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -116.93 84.45 16.04 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.578 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 43.4 Cg_endo -92.33 64.09 0.8 Allowed 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.376 3.384 . . . . 0.0 109.578 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.0 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.816 HMC3 ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 0.697 HBB3 HMB1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 1.034 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.837 HMD1 HBD1 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.413 ' H3 ' HMB3 ' A' ' 113' ' ' HEC . 1.7 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 173.59 90.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.878 HG22 ' HB3' ' A' ' 26' ' ' HIS . 0.4 OUTLIER -62.01 113.95 10.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.545 ' HD2' ' CD2' ' A' ' 26' ' ' HIS . 39.5 Cg_exo -42.63 164.38 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.363 3.376 . . . . 0.0 109.628 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.71 149.41 22.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 7' ' ' GLY . 1.7 t70 -55.81 168.31 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' N ' ' CG ' ' A' ' 6' ' ' ASP . . . 73.66 46.67 23.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.06 115.15 28.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 0.9 OUTLIER -89.29 136.84 32.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.502 HD11 ' HB2' ' A' ' 24' ' ' PHE . 11.9 mt -119.01 123.41 71.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.569 ' HB2' HG23 ' A' ' 21' ' ' THR . 10.2 t0 -158.24 95.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -117.73 -27.95 6.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.0 mt -100.57 101.76 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.55 134.01 33.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 170.73 -165.53 38.75 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.541 1.151 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 59.06 -167.74 7.02 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.33 -49.06 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' A' ' 19' ' ' ASN . 6.4 pttp -144.03 -59.54 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER 161.75 124.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.248 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 59.3 mt -74.79 133.48 41.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.225 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.569 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.7 m -121.95 111.84 17.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.389 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.669 HG22 ' O ' ' A' ' 109' ' ' CYS . 60.7 t -91.81 138.09 20.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.1 t -102.85 126.66 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.57 ' CE1' ' CE1' ' A' ' 29' ' ' HIS . 17.5 t80 -119.5 178.94 4.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -168.95 126.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.878 ' HB3' HG22 ' A' ' 3' ' ' VAL . 10.8 m80 -74.39 -15.59 60.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.57 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.01 10.4 14.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.516 HG21 HBA1 ' A' ' 115' ' ' HEC . 12.3 m -110.33 -31.2 7.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.38 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.57 ' CE1' ' CE1' ' A' ' 24' ' ' PHE . 40.5 m80 -110.2 20.39 17.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.636 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -18.38 14.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.518 ' OD1' HG23 ' A' ' 32' ' ' VAL . 1.5 p-10 -86.68 -2.64 58.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.523 HG12 ' CB ' ' A' ' 36' ' ' ASP . 15.0 t -109.42 133.31 55.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.882 ' O ' HMC3 ' A' ' 113' ' ' HEC . 10.8 mttt -53.56 159.96 1.39 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.474 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 5.3 m -75.38 -40.3 58.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 108.323 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.3 p30 -66.54 -9.87 39.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.523 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.2 t70 -64.6 -18.61 65.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.5 m -134.93 -48.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 108.323 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -74.06 73.39 1.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.611 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.452 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 3.6 p80 -88.51 43.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.633 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.681 ' HG2' HMC2 ' A' ' 114' ' ' HEC . 1.4 mp0 -107.61 146.0 32.46 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.249 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 42' ' ' GLY . 22.2 Cg_endo -59.21 156.12 36.6 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.313 3.342 . . . . 0.0 109.595 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 41' ' ' PRO . . . -45.92 173.54 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 42' ' ' GLY . 1.1 m-20 71.53 -61.63 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.776 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -112.48 25.98 10.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -57.23 -22.16 39.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -121.29 67.7 0.88 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.859 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -114.59 -177.18 3.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.746 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -70.28 150.08 48.12 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.1 m -81.19 -30.62 34.26 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.2 p -89.42 20.15 4.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 24.3 m -67.96 155.87 38.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.412 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.4 OUTLIER -56.32 154.01 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.8 18.86 26.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 16.2 m -131.67 -132.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.418 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 47.2 m-70 -93.43 47.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.579 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -87.37 63.9 7.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.491 ' CG2' ' OD1' ' A' ' 59' ' ' ASP . 3.2 mm -131.56 108.52 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 67.3 mt -99.24 9.58 43.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.491 ' OD1' ' CG2' ' A' ' 57' ' ' ILE . 0.5 OUTLIER -99.28 69.69 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.635 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 0.5 OUTLIER -42.21 142.18 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 60' ' ' LYS . . . 80.29 47.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.351 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -106.48 174.79 5.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.97 82.81 2.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -176.15 161.64 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.8 p -88.8 38.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 29.5 m120 -133.41 9.88 4.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.74 134.83 37.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.519 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 32.5 t-105 -91.81 13.33 18.64 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.626 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 10.4 t80 -119.42 -9.2 9.92 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.823 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 5.3 ttmt -100.16 -44.73 5.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.7 m -64.39 -7.99 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.3 t -102.9 -52.05 8.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -96.04 25.66 4.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.615 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.736 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.5 OUTLIER -78.31 109.57 12.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.77 -6.54 57.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -86.04 153.45 22.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.92 169.41 18.86 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.522 1.138 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.27 -82.39 0.13 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.82 -47.76 28.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.439 ' HZ3' ' CG ' ' A' ' 39' ' ' HIS . 8.8 ptmt -157.67 159.49 30.58 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -77.01 -172.39 1.42 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.303 3.335 . . . . 0.0 109.588 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.736 HG21 ' CB ' ' A' ' 74' ' ' ASP . 30.0 p -137.14 -165.78 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.7 m -77.82 -2.57 37.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 108.306 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 88' ' ' LYS . 3.4 mm -113.7 -44.34 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.58 -61.73 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.033 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 8.2 t -58.9 -57.33 13.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 108.268 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.429 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 9.0 m170 -46.62 -39.28 10.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.604 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' ILE . 1.3 mmtt -60.51 -46.04 91.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -58.06 -41.19 82.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.656 ' HE2' HMD3 ' A' ' 115' ' ' HEC . 19.0 mmtm -61.16 -36.39 79.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.51 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -98.65 22.56 9.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -86.66 56.25 4.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 165.69 -57.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 109.257 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 96' ' ' GLU . 58.2 t0 -78.35 122.32 25.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.23 -39.46 68.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.427 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 31.1 mt-10 -66.24 -28.59 68.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.306 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.813 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -74.06 -21.17 60.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.23 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.427 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 2.3 ttpt -85.77 23.2 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -138.6 47.37 1.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 107' ' ' SER . 6.2 ptmt -167.32 -42.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.658 ' O ' HMC1 ' A' ' 116' ' ' HEC . 12.3 mt -91.65 -33.9 14.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 103' ' ' GLY . 19.3 p -127.88 8.48 6.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.372 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.547 ' O ' ' CB ' ' A' ' 104' ' ' CYS . . . -33.06 -57.67 0.5 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.547 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 1.7 t 92.51 -39.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.28 105.49 7.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.63 44.01 13.71 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 40.0 p -102.28 -172.17 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.794 . . . . 0.0 110.044 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -78.46 0.25 26.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.669 ' O ' HG22 ' A' ' 22' ' ' VAL . 88.2 m -108.68 -48.68 3.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 108.252 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -118.04 83.97 20.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.648 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 47.9 Cg_endo -92.71 68.1 0.64 Allowed 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.304 3.336 . . . . 0.0 109.589 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.952 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.908 HMD1 HBD1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 0.746 HMC3 ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 0.994 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.82 HMD1 HBD1 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.7 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 1' ' ' VAL . 0.4 OUTLIER 57.63 111.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -54.91 121.32 34.42 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' VAL . 41.2 Cg_exo -40.86 163.88 0.02 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.368 3.379 . . . . 0.0 109.57 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.57 152.39 22.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -56.23 -165.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.37 28.56 72.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.443 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -86.34 136.03 33.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 0.758 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.546 ' HG2' HG22 ' A' ' 23' ' ' VAL . 9.8 mtmm -117.07 136.34 53.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.619 HG22 ' O1D' ' A' ' 116' ' ' HEC . 7.5 mt -112.77 125.47 70.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.555 ' HB2' HG23 ' A' ' 21' ' ' THR . 6.5 t70 -159.78 91.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -115.2 -27.04 7.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.498 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 44.3 mt -97.08 102.55 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 13' ' ' ILE . . . 72.44 179.95 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.408 ' C ' ' OD1' ' A' ' 19' ' ' ASN . . . -168.98 -140.93 3.06 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.151 . . . . 0.0 110.948 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.71 -130.51 10.25 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -114.1 -31.7 6.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 110.252 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.17 46.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -105.17 134.76 47.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.489 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 14.2 mt -74.17 104.33 4.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.555 HG23 ' HB2' ' A' ' 11' ' ' ASP . 2.2 m -102.91 113.0 26.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 109' ' ' CYS . 72.6 t -93.97 129.67 43.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.546 HG22 ' HG2' ' A' ' 9' ' ' LYS . 57.6 t -95.03 143.67 11.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.457 ' HB2' HD11 ' A' ' 10' ' ' ILE . 64.1 t80 -133.1 147.77 52.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -132.26 124.02 28.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.355 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -74.74 -17.54 60.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.616 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.0 p -88.04 13.95 10.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.537 HG21 HBA1 ' A' ' 115' ' ' HEC . 30.4 m -110.8 -35.67 5.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.2 m80 -102.42 23.61 11.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.6 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -19.04 13.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -88.08 0.99 55.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.475 HG12 ' CB ' ' A' ' 36' ' ' ASP . 43.1 t -115.73 131.39 68.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.856 ' O ' HMC3 ' A' ' 113' ' ' HEC . 6.5 mmtm -53.59 159.66 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.487 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 10.4 m -74.54 -42.15 59.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 108.256 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.9 p30 -67.04 -9.28 37.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.475 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.5 t70 -65.11 -18.66 65.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 91.7 m -130.07 -48.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 108.268 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -76.62 78.25 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.569 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.494 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 3.1 p80 -90.41 48.13 1.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.607 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.679 ' HG2' HMC2 ' A' ' 114' ' ' HEC . 1.5 mp0 -109.2 171.09 4.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.488 ' CD ' ' HB3' ' A' ' 40' ' ' GLN . 12.0 Cg_exo -73.32 146.23 39.82 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.341 3.361 . . . . 0.0 109.601 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' ASP . . . -40.58 -46.28 3.65 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLY . 0.9 OUTLIER -39.56 -53.22 2.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.272 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.919 ' HB2' ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -118.35 51.42 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.477 ' HG2' ' CE2' ' A' ' 46' ' ' TYR . 13.4 tp60 -38.1 -37.47 0.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.262 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.477 ' CE2' ' HG2' ' A' ' 45' ' ' GLN . 41.8 m-85 -130.32 88.37 2.63 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.804 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.919 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -118.82 179.36 4.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.827 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -74.58 146.71 36.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.9 m -79.9 -32.07 40.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.6 p -89.11 19.62 4.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.9 m -67.21 156.27 36.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.403 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.9 OUTLIER -56.45 153.53 9.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.42 17.41 25.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 14.9 m -130.13 -133.44 0.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.409 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 46.4 m-70 -91.82 47.28 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.591 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -85.12 65.56 9.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.7 mm -132.63 109.01 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 26.4 mt -102.76 21.94 14.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.17 76.41 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.563 ' HD2' ' CE2' ' A' ' 69' ' ' TYR . 4.9 ttpm? -45.56 154.53 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 60' ' ' LYS . . . 68.35 43.06 1.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -103.81 176.55 5.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.68 84.55 2.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.24 158.78 2.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.95 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' ' 65' ' ' VAL . 4.6 p -82.55 6.45 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 30.7 m120 -101.06 9.25 42.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.5 p -74.21 134.72 42.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.956 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.54 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 29.0 t-105 -97.37 15.45 22.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.019 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.653 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 7.8 t80 -121.36 -9.16 9.09 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.817 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.557 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 3.6 ttmm -100.0 -44.22 6.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.7 m -63.46 -9.7 5.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.4 t -99.36 -56.5 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -91.69 24.15 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.586 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.754 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.8 OUTLIER -76.33 130.68 38.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.73 -1.01 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.463 ' HE2' ' CA ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -93.54 172.96 7.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.04 -177.08 14.72 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.721 ' O ' ' HB2' ' A' ' 79' ' ' ALA . . . 128.72 41.07 0.27 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.721 ' HB2' ' O ' ' A' ' 78' ' ' GLY . . . 160.05 -53.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 0.739 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.425 ' HZ2' ' C3A' ' A' ' 114' ' ' HEC . 3.8 ptmm? -163.86 159.14 17.01 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -77.45 -172.29 1.41 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.28 3.32 . . . . 0.0 109.621 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.754 HG21 ' CB ' ' A' ' 74' ' ' ASP . 35.0 p -137.48 -165.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.9 m -77.53 -5.42 50.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 108.341 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 88' ' ' LYS . 8.7 mm -110.0 -43.71 5.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.85 -62.0 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.6 t -59.2 -58.06 10.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 108.28 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.47 ' CE1' HBC1 ' A' ' 116' ' ' HEC . 11.6 m170 -47.09 -39.21 12.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.658 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 84' ' ' ILE . 10.0 mmtm -59.95 -48.27 82.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -56.08 -40.33 73.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -62.22 -43.09 99.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.597 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -93.09 27.15 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.592 ' O ' ' CB ' ' A' ' 93' ' ' ASP . . . -76.09 109.06 2.69 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.592 ' CB ' ' O ' ' A' ' 92' ' ' GLY . 2.3 t70 89.09 -19.54 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 0.795 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -95.21 109.06 21.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -74.05 -34.97 64.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -67.38 -41.6 84.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.988 HD22 ' HD2' ' A' ' 100' ' ' LYS . 0.3 OUTLIER -72.57 -13.87 61.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -86.03 23.98 1.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -142.76 49.89 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.988 ' HD2' HD22 ' A' ' 97' ' ' LEU . 4.2 ptpp? -168.71 -45.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.609 HD11 ' CGD' ' A' ' 115' ' ' HEC . 12.8 mt -95.36 -27.39 15.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.46 ' HA ' HMC2 ' A' ' 116' ' ' HEC . 16.1 p -126.49 5.68 6.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.415 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.58 113.63 6.05 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.769 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 1.1 m -54.92 -53.38 56.26 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.3 137.85 54.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.92 42.41 30.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.13 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.7 p -115.91 177.53 4.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.751 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.98 -4.09 33.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.519 ' O ' HG22 ' A' ' 22' ' ' VAL . 87.5 m -104.72 -47.38 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 108.32 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -117.59 83.43 17.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.626 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 43.6 Cg_endo -92.02 71.05 0.78 Allowed 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.273 3.315 . . . . 0.0 109.578 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 1.136 ' CGD' HMD1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 0.827 HMC3 ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 1.03 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.819 HMC1 HBC3 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 t70 60.19 107.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -54.5 120.25 25.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -40.73 162.99 0.03 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.323 3.349 . . . . 0.0 109.579 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -92.76 163.8 13.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.547 ' CB ' ' ND2' ' A' ' 25' ' ' ASN . 0.6 OUTLIER -57.6 -158.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' N ' ' OD2' ' A' ' 6' ' ' ASP . . . 66.09 21.52 69.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.46 106.39 16.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 0.74 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -93.48 131.99 38.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.7 mt -109.95 120.56 61.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.454 ' HB2' HG23 ' A' ' 21' ' ' THR . 2.5 t70 -154.01 89.2 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -116.67 -26.79 6.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.556 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 62.8 mt -95.16 103.94 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 13' ' ' ILE . . . 75.4 -177.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.401 ' HA2' ' HB3' ' A' ' 19' ' ' ASN . . . 165.23 120.5 0.52 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.44 1.088 . . . . 0.0 110.986 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.62 65.51 0.02 OUTLIER Glycine 0 CA--C 1.531 1.031 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 71.38 -54.08 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.763 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -85.61 50.14 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.401 ' HB3' ' HA2' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -103.42 131.61 50.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 109.343 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.516 HD12 ' O2A' ' A' ' 116' ' ' HEC . 13.4 mt -80.74 75.26 7.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.454 HG23 ' HB2' ' A' ' 11' ' ' ASP . 0.2 OUTLIER -74.35 113.48 11.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 110.422 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 109' ' ' CYS . 56.3 t -99.22 131.34 46.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.244 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.3 t -94.91 147.07 6.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -141.22 150.31 42.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.547 ' ND2' ' CB ' ' A' ' 6' ' ' ASP . 3.6 t-20 -133.51 126.89 32.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -73.44 -14.54 61.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.625 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.6 p -88.43 11.56 16.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.53 HG21 HBA1 ' A' ' 115' ' ' HEC . 91.4 m -109.22 -34.11 6.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -105.64 23.19 14.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.644 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -20.17 20.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.33 -1.99 58.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.464 HG12 ' CB ' ' A' ' 36' ' ' ASP . 41.9 t -111.22 129.89 65.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.882 ' O ' HMC3 ' A' ' 113' ' ' HEC . 5.1 mttp -52.07 160.32 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.469 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 10.2 m -75.54 -41.29 55.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 108.328 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -67.85 -8.92 40.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.464 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.6 t70 -65.84 -18.44 65.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 95.3 m -131.39 -48.58 0.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 108.322 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -78.05 73.39 4.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.616 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 7.4 p80 -83.75 60.8 5.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.61 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.557 ' OE1' HBC2 ' A' ' 114' ' ' HEC . 61.1 mm-40 -134.62 152.01 76.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 42' ' ' GLY . 27.2 Cg_endo -55.76 152.54 34.57 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.321 3.348 . . . . 0.0 109.592 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 44' ' ' LYS . . . -49.05 179.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.91 -66.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.773 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.632 ' HG2' ' HB2' ' A' ' 47' ' ' ALA . 1.1 ttmt -105.5 22.23 15.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -50.71 -37.88 43.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 110.268 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -103.6 83.86 2.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.817 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.632 ' HB2' ' HG2' ' A' ' 44' ' ' LYS . . . -123.72 -175.64 3.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.766 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -75.21 144.44 32.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.9 m -79.21 -31.79 43.81 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.353 -0.981 . . . . 0.0 108.353 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.6 p -89.04 19.67 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.44 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 31.5 m -67.37 156.17 37.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -56.3 152.88 10.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.07 21.0 36.8 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 19.0 m -133.45 -133.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.406 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 53.4 m-70 -91.29 48.35 1.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.608 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -87.89 65.02 8.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.503 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 3.6 mm -132.49 109.96 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 67.0 mt -100.6 8.44 43.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.503 ' OD2' ' CG2' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -96.28 69.68 2.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.607 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 6.5 pttt -44.51 142.64 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 60' ' ' LYS . . . 78.19 44.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -108.66 178.11 4.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -119.68 85.33 2.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.42 152.99 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.951 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 65' ' ' VAL . 3.7 p -79.32 2.04 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 29.3 m120 -95.77 11.13 34.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 p -76.16 134.36 39.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.951 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.522 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 33.2 t-105 -95.22 15.06 20.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 108.051 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.633 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 13.6 t80 -121.06 -8.18 9.35 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.842 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.544 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 4.8 ttmm -99.26 -43.88 6.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.6 m -64.82 -8.96 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 88.0 t -103.08 -46.14 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -106.1 34.31 3.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.617 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.857 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.4 OUTLIER -84.63 136.42 33.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.83 11.77 3.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 77' ' ' GLY . 9.6 ttmt -105.79 53.62 0.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . 33.8 -142.34 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.415 ' C ' ' N ' ' A' ' 80' ' ' LYS . . . 129.24 -178.82 17.1 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.1 -24.31 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.415 ' N ' ' C ' ' A' ' 78' ' ' GLY . 6.9 ptmt -155.49 159.83 31.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -76.17 179.51 6.27 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.322 3.348 . . . . 0.0 109.641 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.857 HG21 ' HB2' ' A' ' 74' ' ' ASP . 40.3 p -129.59 -163.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.389 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.5 m -77.84 -2.04 34.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 108.318 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 88' ' ' LYS . 19.7 mm -112.56 -44.51 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.32 -59.8 4.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 7.8 t -62.03 -58.6 7.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 108.276 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -46.84 -35.93 6.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.544 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 84' ' ' ILE . 3.1 mmtp -62.52 -49.91 73.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -57.4 -38.97 75.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -60.04 -43.84 95.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.94 -80.37 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.9 -122.49 5.86 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.47 1.106 . . . . 0.0 110.964 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -35.96 60.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 0.79 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -54.57 102.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -69.52 -34.66 74.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -65.2 -26.76 68.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -89.22 -24.27 22.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -85.41 21.84 1.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.7 mmtm -137.73 43.75 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 107' ' ' SER . 5.2 ptmt -163.53 -47.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.721 HD11 ' CGD' ' A' ' 115' ' ' HEC . 16.1 mt -89.81 -29.28 18.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.44 ' HA ' HMC2 ' A' ' 116' ' ' HEC . 18.9 p -122.73 2.83 9.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.403 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.89 124.76 36.65 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.768 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 1.5 m -70.74 -47.09 61.53 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -124.32 129.59 51.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.71 44.66 14.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 110.966 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 95.2 p -112.62 174.49 5.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 110.019 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.67 -8.5 42.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.582 ' O ' HG22 ' A' ' 22' ' ' VAL . 92.3 m -102.03 -46.05 4.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 108.295 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -117.03 83.8 15.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.612 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 44.7 Cg_endo -91.32 71.1 1.0 Allowed 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.296 3.331 . . . . 0.0 109.548 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.031 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.943 HMD1 HBD1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 0.766 HMC3 ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 1.018 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.833 HMD1 HBD1 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 61.2 118.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.42 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 0.4 OUTLIER -54.28 119.84 22.45 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 3' ' ' VAL . 42.3 Cg_exo -41.54 164.19 0.03 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.298 3.332 . . . . 0.0 109.582 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.8 150.29 25.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -162.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.55 29.54 72.92 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 111.062 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.92 135.71 37.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -107.49 129.18 54.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.891 HG22 ' O1D' ' A' ' 116' ' ' HEC . 7.8 mt -119.09 120.36 63.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.535 ' HB2' HG23 ' A' ' 21' ' ' THR . 10.3 t70 -164.11 93.85 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -116.0 -25.86 7.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.6 mt -97.45 101.81 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.34 90.57 4.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.05 -160.04 9.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.545 1.153 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.38 -174.21 27.72 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -39.4 -49.49 2.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 0.773 . . . . 0.0 110.293 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -143.92 -48.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 170.4 110.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.476 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 15.9 mt -74.99 117.79 17.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.535 HG23 ' HB2' ' A' ' 11' ' ' ASP . 0.6 OUTLIER -109.25 116.91 32.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 109' ' ' CYS . 69.3 t -101.8 141.23 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.7 t -106.73 151.58 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -141.15 144.8 35.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -127.64 124.14 37.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -73.9 -18.36 60.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.614 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.8 p -88.47 14.44 9.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.516 HG21 HBA1 ' A' ' 115' ' ' HEC . 24.0 m -108.49 -37.44 5.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -100.98 24.22 9.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.65 -22.02 20.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.81 -0.62 55.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.508 HG12 ' CB ' ' A' ' 36' ' ' ASP . 33.8 t -114.36 133.27 60.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.843 ' O ' HMC3 ' A' ' 113' ' ' HEC . 26.2 mmtt -55.57 161.85 1.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.488 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 9.0 m -75.47 -43.45 49.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 108.322 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -64.63 -10.27 25.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.508 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.2 t70 -64.57 -17.95 64.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.448 ' HA ' ' NZ ' ' A' ' 80' ' ' LYS . 90.3 m -130.75 -49.86 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 108.321 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -74.97 57.3 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.618 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.523 ' CG ' ' N ' ' A' ' 40' ' ' GLN . 15.2 p80 -56.56 -58.76 6.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.616 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.523 ' N ' ' CG ' ' A' ' 39' ' ' HIS . 34.3 tt0 -111.38 125.94 29.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.414 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 30.6 Cg_endo -86.35 119.25 1.7 Allowed 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.295 3.33 . . . . 0.0 109.604 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.453 ' HA2' HBC3 ' A' ' 114' ' ' HEC . . . -66.9 -84.76 0.09 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -86.95 -34.43 19.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -147.4 174.2 11.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.414 ' HA ' ' HB3' ' A' ' 41' ' ' PRO . 1.9 tp60 -37.84 -32.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.497 ' CZ ' HMB3 ' A' ' 113' ' ' HEC . 57.7 m-85 -126.73 121.14 31.18 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.857 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.64 -175.94 4.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.617 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -78.7 150.46 34.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 18.3 m -80.32 -31.0 38.18 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 16.4 p -89.47 22.91 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.434 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 28.2 m -70.42 155.61 40.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.375 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.96 153.37 8.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.55 24.53 39.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 20.0 m -136.78 -130.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.444 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 52.3 m-70 -94.39 49.5 1.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.601 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -89.46 50.54 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.565 ' O ' HD23 ' A' ' 58' ' ' LEU . 1.6 mm -119.53 141.48 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 57' ' ' ILE . 36.3 mt -121.2 91.89 3.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.462 ' CG ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -169.44 165.83 10.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.548 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -77.51 57.01 1.49 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.682 ' HB2' ' HD1' ' A' ' 69' ' ' TYR . . . 74.14 78.22 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 26.9 t0 -68.39 176.82 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -80.67 72.89 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.05 155.25 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 65' ' ' VAL . 4.9 p -88.48 40.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.502 ' O ' ' CG1' ' A' ' 57' ' ' ILE . 31.1 m120 -133.51 9.96 4.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.42 140.92 45.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.991 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.511 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 37.9 t-105 -95.42 14.35 22.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 108.027 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.682 ' HD1' ' HB2' ' A' ' 61' ' ' ALA . 5.6 t80 -120.82 -15.23 8.39 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.807 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 13.9 ttmm -94.92 -43.94 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.1 m -64.59 -8.23 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.2 t -104.59 -53.17 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -95.07 29.58 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.613 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.747 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.3 OUTLIER -80.02 107.49 12.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.61 0.24 57.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -98.82 149.24 23.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.21 -162.24 0.54 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.531 1.145 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' ALA . . . 147.34 -171.87 27.88 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 78' ' ' GLY . . . -39.75 -44.85 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.448 ' NZ ' ' HA ' ' A' ' 37' ' ' CYS . 1.5 pttt -149.19 149.11 28.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.404 ' CB ' ' HB2' ' A' ' 85' ' ' SER . 13.7 Cg_endo -56.51 -173.03 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.348 3.366 . . . . 0.0 109.582 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.747 HG21 ' CB ' ' A' ' 74' ' ' ASP . 41.4 p -130.95 -163.98 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.5 m -78.44 -3.44 43.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.289 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 88' ' ' LYS . 4.4 mm -111.49 -44.38 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.404 ' HB2' ' CB ' ' A' ' 81' ' ' PRO . 0.7 OUTLIER -53.03 -60.48 3.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.002 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.5 t -61.41 -58.44 8.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 108.286 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.421 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 12.4 m170 -46.88 -35.9 6.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 84' ' ' ILE . 2.9 mtpt -62.82 -49.33 75.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -56.65 -40.43 75.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -61.46 -40.6 95.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.468 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -94.53 22.91 5.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.339 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -85.78 60.62 4.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 166.23 -57.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.767 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 96' ' ' GLU . 54.6 t0 -82.79 125.0 30.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -73.58 -41.65 62.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.443 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 6.4 tp10 -65.0 -27.08 68.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.264 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.892 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER -74.6 -20.99 59.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -85.38 20.12 2.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.21 44.71 2.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.769 ' HD2' HD22 ' A' ' 97' ' ' LEU . 8.4 ptpt -163.11 -47.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.699 ' O ' HMC1 ' A' ' 116' ' ' HEC . 10.4 mt -90.09 -33.01 16.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 29.3 p -119.55 5.23 11.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.1 115.71 8.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.729 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 1.2 m -59.44 -51.02 71.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.6 141.01 52.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.27 40.04 56.33 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 30.7 p -114.21 -178.7 3.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.779 . . . . 0.0 110.035 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.18 -5.46 44.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.786 ' O ' HG22 ' A' ' 22' ' ' VAL . 85.0 m -103.45 -46.76 4.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.477 1.111 . . . . 0.0 108.264 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -117.96 83.25 18.62 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.592 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 43.9 Cg_endo -92.21 70.5 0.75 Allowed 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.365 3.377 . . . . 0.0 109.607 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.017 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.843 HMC3 ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 0.617 HMC3 ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 1.043 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.891 ' O1D' HG22 ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.428 ' CG ' ' N ' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -57.33 -162.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.428 ' N ' ' CG ' ' A' ' 6' ' ' ASP . . . 68.81 28.73 72.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.422 1.076 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' A' ' 23' ' ' VAL . . . -88.46 136.83 32.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.539 ' HG2' HG22 ' A' ' 23' ' ' VAL . 32.7 mttp -118.1 139.82 50.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.093 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.8 mt -114.03 133.11 61.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.467 ' HB2' HG23 ' A' ' 21' ' ' THR . 2.8 t70 -163.07 86.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -115.33 -26.09 7.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.6 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.4 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.467 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.5 m -88.76 111.02 21.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.418 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 109' ' ' CYS . 68.9 t -96.84 139.02 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.539 HG22 ' HG2' ' A' ' 9' ' ' LYS . 90.0 t -99.55 142.01 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -136.22 153.41 51.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 40.7 t-20 -138.23 139.54 39.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.453 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 13.0 m80 -86.64 -21.78 26.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.614 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.39 4.59 17.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.011 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.7 m -100.95 -39.75 7.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -100.44 23.01 10.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.613 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -56.42 -19.4 14.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.0 2.69 53.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.7 t -115.0 129.61 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -51.72 158.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.8 m -73.99 -43.47 57.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 108.312 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -65.62 -10.03 32.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -64.82 -18.01 64.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 81.6 m -131.73 -49.27 0.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 108.344 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -76.93 81.85 3.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.579 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.444 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 3.8 p80 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 109.646 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 . . . . . 0 N--CA 1.448 -0.536 0 CA-C-O 118.909 -0.567 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.09 169.76 13.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.17 143.99 47.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.9 m -79.63 -30.14 41.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 51.6 p -91.23 20.45 5.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.3 m -67.16 155.41 38.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.43 152.99 7.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.38 17.99 34.53 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.3 m -131.95 -135.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.423 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 44.2 m-70 -89.84 47.4 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.585 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -87.85 66.26 8.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.404 ' CG1' ' O ' ' A' ' 66' ' ' ASN . 3.8 mm -133.78 109.2 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 72.2 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 tttt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.77 159.19 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 65' ' ' VAL . 4.3 p -81.27 4.03 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.423 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 27.9 m120 -97.78 12.46 33.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 p -78.33 133.75 37.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.038 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 28.1 t-105 -95.47 15.51 19.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 107.945 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.624 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 13.2 t80 -122.96 -1.21 8.87 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.819 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 2.7 ttmm -107.25 -39.34 5.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 35.6 m -69.57 -4.58 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.8 t -104.96 -47.21 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -103.9 31.42 4.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.581 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.765 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 N--CA 1.448 -1.18 0 N-CA-C 109.562 -0.976 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.765 HG21 ' HB2' ' A' ' 74' ' ' ASP . 37.4 p -131.08 -164.32 1.42 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.442 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.8 m -78.26 -1.9 35.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 108.319 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 88' ' ' LYS . 10.0 mm -112.96 -44.19 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.13 -60.48 3.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 110.011 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.7 t -61.56 -58.89 6.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -45.61 -38.29 6.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.585 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 84' ' ' ILE . 4.3 mmtt -60.53 -47.91 84.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.82 -39.82 74.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -63.13 -43.81 97.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.7 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.7 HD12 ' HB2' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -78.31 -20.88 50.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -86.11 22.58 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -142.92 46.66 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 107' ' ' SER . 7.4 ptmt -167.83 -45.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 97' ' ' LEU . 11.3 mt -90.06 -32.49 16.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.4 p -122.26 1.19 9.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.401 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.35 114.93 5.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.58 -47.13 87.57 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.6 ttmt -124.43 132.34 53.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.34 45.58 14.33 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 30.3 p -115.47 176.27 5.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.957 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.67 -6.0 41.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.682 ' O ' HG22 ' A' ' 22' ' ' VAL . 97.3 m -103.42 -46.28 4.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 108.352 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -116.82 83.88 14.95 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.596 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 57.9 Cg_endo -89.74 70.48 1.86 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.321 3.347 . . . . 0.0 109.595 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 110.034 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -69.44 -179.35 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.48 46.24 56.51 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.94 116.0 28.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -80.49 139.95 36.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.692 HD11 ' HB2' ' A' ' 24' ' ' PHE . 14.3 mt -119.1 128.81 75.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.638 ' HB2' HG23 ' A' ' 21' ' ' THR . 2.3 t70 -164.09 95.75 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -116.3 -27.36 6.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 95.4 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.2 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.638 HG23 ' HB2' ' A' ' 11' ' ' ASP . 3.9 m -126.24 120.21 29.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.44 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 109' ' ' CYS . 88.3 t -97.13 150.11 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.0 t -113.62 142.98 24.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.692 ' HB2' HD11 ' A' ' 10' ' ' ILE . 24.1 t80 -129.6 171.98 12.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -163.65 121.67 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -74.45 -11.16 60.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.564 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 87.2 p -92.84 19.85 7.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.026 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.6 m -119.38 -37.26 3.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.375 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -101.91 23.93 10.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.59 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.54 -19.23 14.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -88.06 -1.79 58.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.53 HG12 ' CB ' ' A' ' 36' ' ' ASP . 39.1 t -111.39 128.73 67.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -51.29 159.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.9 m -73.85 -43.52 58.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 108.321 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -65.66 -9.57 28.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.53 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.2 t70 -64.59 -18.22 64.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 93.4 m -131.31 -49.02 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 108.316 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -76.39 90.32 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.627 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.476 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 2.8 p80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.619 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 . . . . . 0 N--CA 1.449 -0.488 0 CA-C-O 118.908 -0.568 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.81 -177.21 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.414 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -73.46 144.26 34.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.7 m -80.8 -32.83 35.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.7 p -88.99 19.89 3.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 22.9 m -67.1 156.04 37.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.51 153.9 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.0 17.98 24.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.3 m -130.84 -132.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -92.55 46.64 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.584 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -86.18 66.11 9.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.2 mm -132.06 108.78 14.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 72.6 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t -176.74 160.54 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.977 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.663 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.0 p -88.4 38.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -131.04 9.27 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.22 135.02 38.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.17 . . . . 0.0 109.981 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.497 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 40.9 t-105 -92.24 13.34 19.46 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.61 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 14.5 t80 -118.21 -9.31 10.49 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.825 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 6.9 ttmt -99.74 -45.46 5.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 26.9 m -64.71 -8.57 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 74.7 t -103.9 -46.29 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -104.56 32.77 3.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.606 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.865 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 N--CA 1.447 -1.24 0 N-CA-C 109.616 -0.955 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.865 HG21 ' HB2' ' A' ' 74' ' ' ASP . 41.0 p -130.34 -165.03 1.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m -78.03 -2.84 39.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 108.334 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 84' ' ' ILE . 5.7 mm -111.74 -43.99 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.5 -60.85 2.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.018 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 8.8 t -60.57 -57.99 10.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 108.296 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.405 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 7.8 m170 -46.84 -38.92 11.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.622 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 84' ' ' ILE . 7.6 mmtm -59.7 -48.15 82.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -56.08 -40.34 73.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -63.71 -42.77 97.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.7 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.7 HD12 ' HB2' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -78.8 -20.9 48.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -85.86 21.84 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -140.81 45.84 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 107' ' ' SER . 7.3 ptmt -167.0 -43.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.452 ' CD1' HD11 ' A' ' 97' ' ' LEU . 13.1 mt -93.44 -32.54 14.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.5 p -123.01 4.61 9.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.402 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -60.43 108.43 1.81 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.2 m -51.36 -51.38 55.06 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -124.14 136.84 54.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.72 43.74 22.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.12 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 72.2 p -117.71 177.91 4.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.73 -4.1 32.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.421 ' O ' ' HD3' ' A' ' 111' ' ' PRO . 94.7 m -104.95 -46.59 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 108.302 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -117.58 83.37 17.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.589 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 44.1 Cg_endo -91.62 71.8 0.85 Allowed 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.294 3.329 . . . . 0.0 109.572 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.008 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 5' ' ' ALA . 0.7 OUTLIER -54.3 -171.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.19 41.97 98.13 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.69 110.9 23.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 0.761 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -85.7 138.25 32.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.611 HD11 ' HB2' ' A' ' 24' ' ' PHE . 13.0 mt -112.98 130.9 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.44 ' HB2' HG23 ' A' ' 21' ' ' THR . 3.4 t0 -161.49 92.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -115.11 -27.76 7.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 75.6 mt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.0 mt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.44 HG23 ' HB2' ' A' ' 11' ' ' ASP . 2.6 m -118.05 110.03 17.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 109' ' ' CYS . 54.1 t -89.82 145.8 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.0 t -105.74 127.49 60.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.611 ' HB2' HD11 ' A' ' 10' ' ' ILE . 17.1 t80 -122.14 168.02 12.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.473 ' CG ' ' HG ' ' A' ' 27' ' ' SER . 15.7 t30 -158.0 143.14 16.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.456 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 12.8 m80 -87.45 -27.19 22.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.597 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.473 ' HG ' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -75.14 -0.85 20.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.956 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.45 ' OG1' ' ND2' ' A' ' 25' ' ' ASN . 39.6 m -93.0 -39.45 11.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.461 ' CE1' ' CE1' ' A' ' 24' ' ' PHE . 37.2 m80 -104.63 24.85 11.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.585 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.77 -19.7 18.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.49 -0.75 57.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.484 HG12 ' CB ' ' A' ' 36' ' ' ASP . 35.9 t -109.73 133.69 54.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -54.46 160.04 1.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.3 m -75.07 -42.77 56.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 108.291 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -65.59 -10.08 32.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.272 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.484 ' CB ' HG12 ' A' ' 32' ' ' VAL . 2.5 t70 -64.75 -18.36 64.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 87.0 m -131.77 -49.11 0.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 108.282 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -76.45 77.67 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.585 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.58 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 5.0 p80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.594 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 . . . . . 0 N--CA 1.449 -0.494 0 CA-C-O 118.912 -0.566 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.04 179.81 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.103 . . . . 0.0 109.356 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.4 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -69.56 149.89 48.91 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.7 m -80.95 -32.09 34.63 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.4 p -88.75 19.49 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.427 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' A' ' 54' ' ' CYS . 23.7 m -67.43 156.39 36.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.412 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.69 153.5 10.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.53 20.06 29.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.135 . . . . 0.0 111.032 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 51' ' ' THR . 21.1 m -131.98 -132.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.413 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 51.8 m-70 -93.09 48.14 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.577 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -87.18 64.86 8.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.2 mm -131.57 109.1 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.8 mt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.7 160.83 2.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.021 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 65' ' ' VAL . 6.0 p -86.49 13.52 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.413 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 30.4 m120 -108.49 10.17 27.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 p -75.38 134.45 40.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.986 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.524 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 31.6 t-105 -94.17 14.07 21.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 108.022 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.653 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 5.7 t80 -119.96 -9.27 9.68 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.825 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 7.9 ttmm -99.96 -44.11 6.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 29.9 m -64.25 -8.71 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 80.4 t -102.49 -53.28 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -93.88 25.04 3.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.615 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.751 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo . . . . . 0 N--CA 1.447 -1.238 0 N-CA-C 109.619 -0.954 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.751 HG21 ' CB ' ' A' ' 74' ' ' ASP . 31.8 p -137.23 -165.69 1.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.414 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.9 m -77.25 -3.17 38.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 108.273 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 88' ' ' LYS . 6.2 mm -112.24 -44.33 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.5 -61.57 2.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.95 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 6.9 t -59.98 -57.27 13.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 108.269 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.425 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 10.0 m170 -47.59 -37.35 12.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.57 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 84' ' ' ILE . 8.5 mtpt -61.74 -48.38 80.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -56.99 -40.25 76.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -59.96 -40.91 90.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.177 . . . . 0.0 109.264 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.429 ' O ' ' NZ ' ' A' ' 100' ' ' LYS . 11.7 tt0 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.002 HD22 ' HD2' ' A' ' 100' ' ' LYS . 0.8 OUTLIER -74.69 -19.04 60.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -85.87 22.48 1.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -137.35 47.22 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 1.002 ' HD2' HD22 ' A' ' 97' ' ' LEU . 3.4 ptpp? -164.34 -47.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.425 ' HB3' ' ND1' ' A' ' 87' ' ' HIS . 11.3 mt -90.15 -28.98 18.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.0 p -122.76 4.19 9.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.39 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.1 117.01 10.18 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.83 -57.19 14.13 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -121.87 138.48 54.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.15 42.15 29.78 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.1 p -117.8 -179.73 3.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.76 . . . . 0.0 110.038 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.42 -3.96 33.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.786 ' O ' HG22 ' A' ' 22' ' ' VAL . 77.4 m -104.67 -47.34 4.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 108.284 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -118.01 83.1 18.49 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 109.608 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 44.0 Cg_endo -92.05 71.91 0.72 Allowed 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.282 3.321 . . . . 0.0 109.616 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.09 -166.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.57 35.93 67.92 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.42 99.94 11.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.47 ' HD3' ' CG2' ' A' ' 21' ' ' THR . 0.0 OUTLIER -72.71 145.61 47.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 109.329 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.537 HD11 ' HB2' ' A' ' 24' ' ' PHE . 12.4 mt -125.58 125.59 68.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -165.49 92.89 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -115.27 -24.38 8.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.3 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.1 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.47 ' CG2' ' HD3' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -80.94 112.41 18.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 110.367 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 109' ' ' CYS . 54.8 t -101.37 144.52 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.0 t -105.05 137.63 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.537 ' HB2' HD11 ' A' ' 10' ' ' ILE . 51.1 t80 -132.8 150.41 52.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 37.0 t30 -137.03 144.84 43.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.451 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 16.4 m80 -87.24 -25.34 24.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.609 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.449 ' H ' ' HG ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -74.67 -1.91 23.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.018 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.6 m -93.59 -40.05 10.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -103.18 23.99 11.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.63 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -57.1 -18.28 14.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -90.99 1.65 56.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.467 HG13 ' OD2' ' A' ' 36' ' ' ASP . 54.0 t -112.1 130.54 65.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -52.25 155.96 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.5 m -71.33 -46.5 60.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 108.306 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.5 p30 -63.17 -10.24 14.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.467 ' OD2' HG13 ' A' ' 32' ' ' VAL . 4.9 t0 -64.23 -18.03 64.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.8 m -131.9 -49.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.308 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.74 82.87 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 109.622 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.432 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 4.4 p80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.585 1.178 . . . . 0.0 109.662 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 . . . . . 0 N--CA 1.449 -0.524 0 CA-C-O 118.922 -0.561 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.36 -176.78 3.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.407 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -74.45 145.64 34.68 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.554 1.159 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.8 m -80.55 -32.63 36.65 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 36.3 p -88.78 19.26 4.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 24.1 m -67.09 155.86 37.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -56.1 153.65 8.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.63 20.32 31.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.142 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.5 m -133.08 -133.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.422 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 49.0 m-70 -91.56 48.08 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.59 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -88.99 65.97 7.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.4 mm -132.92 108.89 13.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 67.5 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.936 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.41 163.21 2.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.996 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.3 p -86.16 12.4 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 28.8 m120 -106.32 11.41 31.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.7 p -77.41 133.63 38.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.007 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.526 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 30.8 t-105 -93.4 13.99 19.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 108.018 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.615 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 15.6 t80 -121.36 -2.01 9.59 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.848 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 4.3 ttmm -105.86 -41.13 5.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.6 m -68.83 -5.29 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.82 -49.18 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -102.28 31.04 4.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.616 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.783 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo . . . . . 0 N--CA 1.448 -1.189 0 N-CA-C 109.584 -0.968 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.783 HG21 ' HB2' ' A' ' 74' ' ' ASP . 37.7 p -132.03 -164.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.357 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.8 m -77.62 -2.82 37.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 108.301 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 88' ' ' LYS . 6.0 mm -111.88 -44.93 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.62 -60.3 3.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.997 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 7.3 t -61.45 -57.37 12.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 108.343 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.41 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 9.8 m170 -47.49 -33.27 6.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.591 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 84' ' ' ILE . 5.0 mtpt -67.51 -48.78 66.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -58.05 -38.46 76.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -59.75 -42.84 94.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.788 ' HB1' ' HB2' ' A' ' 98' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.719 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -76.62 -26.74 55.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.788 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 5.6 ttmm -84.72 22.83 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -136.91 42.91 2.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt -162.43 -50.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.234 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.41 ' HB3' ' ND1' ' A' ' 87' ' ' HIS . 11.4 mt -83.44 -27.92 29.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 28.4 p -120.75 -2.25 9.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.421 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -49.69 129.12 25.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.444 1.09 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.09 -50.2 12.49 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -121.54 127.04 50.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.93 44.61 13.86 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.1 p -110.49 174.57 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.776 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.14 -9.29 45.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.745 ' O ' HG22 ' A' ' 22' ' ' VAL . 91.1 m -101.89 -45.32 5.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 108.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -117.22 84.08 16.77 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.602 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 44.7 Cg_endo -91.72 70.39 0.91 Allowed 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.306 3.337 . . . . 0.0 109.635 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.9 -167.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.37 29.51 71.76 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.425 ' O ' ' HA ' ' A' ' 23' ' ' VAL . . . -86.23 135.85 33.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.792 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -117.92 135.48 54.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.8 mt -114.39 125.31 71.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.505 ' HB2' HG23 ' A' ' 21' ' ' THR . 4.7 t70 -158.22 90.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -115.53 -25.29 7.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.9 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.2 mt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.505 HG23 ' HB2' ' A' ' 11' ' ' ASP . 0.6 OUTLIER -123.02 114.36 20.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.419 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 109' ' ' CYS . 83.0 t -97.08 127.15 49.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 50.6 t -92.58 139.33 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.435 ' CE1' ' CE1' ' A' ' 29' ' ' HIS . 44.8 t80 -131.82 145.62 51.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.99 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.17 124.19 34.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -74.77 -18.3 60.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.8 p -88.2 15.79 7.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.041 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.8 m -113.17 -33.31 6.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.435 ' CE1' ' CE1' ' A' ' 24' ' ' PHE . 67.5 m80 -103.26 23.07 13.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.629 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -56.69 -18.35 12.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.74 0.64 55.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.57 HG12 ' CB ' ' A' ' 36' ' ' ASP . 21.8 t -117.45 128.6 74.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -51.56 159.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.259 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.8 m -73.6 -40.95 63.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 108.333 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -67.61 -8.69 36.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.57 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.7 t70 -65.67 -17.8 64.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.7 m -131.24 -48.68 1.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 108.345 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -76.38 88.13 3.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.605 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.57 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 4.0 p80 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.588 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 . . . . . 0 N--CA 1.45 -0.458 0 CA-C-O 118.945 -0.55 . . . . 0.0 109.828 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.91 -175.47 3.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.57 136.59 16.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.1 m -75.35 -32.97 61.05 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 p -89.83 20.43 4.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 54' ' ' CYS . 89.1 m -70.1 156.04 39.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -55.14 151.69 8.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.38 28.38 55.13 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.445 1.091 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 51' ' ' THR . 30.1 m -140.36 -131.76 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.409 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 56.0 m-70 -94.43 49.8 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -92.1 67.76 5.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.8 mm -133.89 110.64 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.0 mt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.35 157.9 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 65' ' ' VAL . 3.7 p -81.99 4.78 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 28.3 m120 -98.57 11.47 38.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 p -76.81 133.26 39.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.523 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 32.1 t-105 -94.52 14.35 21.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 107.998 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.617 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 15.2 t80 -122.31 -1.77 9.13 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.853 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 2.9 ttmm -106.85 -42.41 4.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 30.2 m -64.9 -9.37 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.5 t -102.03 -52.49 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -94.46 25.12 4.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.589 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.747 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 N--CA 1.447 -1.217 0 N-CA-C 109.532 -0.988 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.747 HG21 ' CB ' ' A' ' 74' ' ' ASP . 30.2 p -137.46 -166.42 1.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.9 m -77.5 -3.79 42.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 108.295 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 88' ' ' LYS . 6.7 mm -111.71 -43.85 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.49 -60.7 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 10.9 t -61.33 -56.8 16.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 108.275 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.427 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 10.0 m170 -47.34 -36.95 10.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.628 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 84' ' ' ILE . 6.4 mttm -61.7 -47.27 86.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -57.53 -39.21 76.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -62.68 -40.08 95.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.599 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.832 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -75.7 -20.07 58.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -86.31 22.62 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.71 48.31 1.92 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.699 ' HD2' HD22 ' A' ' 97' ' ' LEU . 10.3 ptpt -167.38 -45.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.427 ' HB3' ' ND1' ' A' ' 87' ' ' HIS . 13.7 mt -91.21 -32.57 15.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.6 p -122.31 14.2 10.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.28 119.39 7.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.147 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -61.26 -53.15 60.49 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.35 137.83 54.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.13 41.06 40.58 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 95.7 p -113.37 175.51 5.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.988 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.29 -6.69 41.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.501 ' O ' HG22 ' A' ' 22' ' ' VAL . 95.8 m -102.12 -46.84 4.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 108.327 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -117.47 83.54 17.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.597 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 46.1 Cg_endo -91.42 71.87 0.91 Allowed 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.308 3.339 . . . . 0.0 109.625 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.0 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.413 ' OD2' ' N ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -55.69 -167.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.413 ' N ' ' OD2' ' A' ' 6' ' ' ASP . . . 69.58 32.1 71.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' A' ' 23' ' ' VAL . . . -88.87 135.2 33.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 109.256 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -113.62 133.56 55.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.497 HD11 ' HB2' ' A' ' 24' ' ' PHE . 11.2 mt -111.94 124.42 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.612 ' HB2' HG23 ' A' ' 21' ' ' THR . 6.9 t70 -158.78 92.38 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.174 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -115.22 -27.68 7.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 76.5 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.8 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.612 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.5 m -120.71 117.6 27.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.409 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 109' ' ' CYS . 73.8 t -99.76 136.51 30.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 88.9 t -100.18 135.05 37.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.497 ' HB2' HD11 ' A' ' 10' ' ' ILE . 58.1 t80 -127.12 145.98 50.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -128.75 125.48 37.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -74.72 -20.12 59.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.583 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.1 p -88.09 16.03 6.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 110.036 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.6 m -110.66 -35.12 6.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.414 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -103.55 23.84 12.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.586 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.2 -19.82 15.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -84.66 -2.57 57.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.612 HG12 ' CB ' ' A' ' 36' ' ' ASP . 7.6 t -114.41 130.8 68.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.61 159.39 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.4 m -72.83 -41.56 64.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 108.28 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -66.34 -9.72 35.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.612 ' CB ' HG12 ' A' ' 32' ' ' VAL . 3.5 t70 -65.09 -18.45 65.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 96.2 m -130.25 -49.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 108.327 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -76.45 74.78 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.599 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.2 p80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.586 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 N--CA 1.449 -0.477 0 CA-C-O 118.84 -0.6 . . . . 0.0 109.785 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.56 -176.88 5.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.405 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -76.96 145.54 31.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 25.6 m -80.13 -35.15 37.12 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 19.5 p -89.41 21.67 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 25.8 m -66.73 156.37 35.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.402 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.87 152.82 6.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.53 20.59 31.4 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 51' ' ' THR . 17.1 m -134.14 -137.02 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.439 ' O ' ' HA ' ' A' ' 50' ' ' THR . 51.8 m-70 -86.47 44.88 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.601 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -83.91 68.71 10.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.7 mm -133.76 109.26 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.2 mttt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.07 158.41 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.2 p -83.59 7.58 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.419 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 31.9 m120 -101.42 8.41 42.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 p -74.97 136.68 41.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.552 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 30.0 t-105 -97.37 17.41 17.51 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.653 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 7.9 t80 -122.81 -7.18 8.49 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.808 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.568 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 5.3 ttmt -101.71 -42.86 6.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.5 m -64.17 -7.92 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.9 t -104.99 -53.31 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -94.56 25.96 3.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.596 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.771 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo . . . . . 0 N--CA 1.447 -1.222 0 N-CA-C 109.601 -0.961 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.771 HG21 ' CB ' ' A' ' 74' ' ' ASP . 24.9 p -138.0 -165.69 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 110.376 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.8 m -77.07 -3.38 38.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 108.255 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.474 HG22 ' HD2' ' A' ' 88' ' ' LYS . 8.5 mm -112.07 -44.54 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.32 -61.26 2.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 6.6 t -60.4 -57.74 11.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 108.307 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.445 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 10.6 m170 -47.02 -37.56 9.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.599 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.474 ' HD2' HG22 ' A' ' 84' ' ' ILE . 12.1 mttt -60.98 -47.37 86.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -55.98 -40.86 73.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.4 mmtm -62.71 -41.95 99.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.528 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.656 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -76.96 -20.99 55.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -85.82 24.49 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -143.52 48.06 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.568 ' HD2' HD22 ' A' ' 97' ' ' LEU . 13.1 ptpt -167.5 -46.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.445 ' HB3' ' ND1' ' A' ' 87' ' ' HIS . 10.8 mt -91.2 -32.17 15.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.8 p -121.29 6.91 10.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.443 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -63.48 115.54 8.11 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -57.78 -54.97 40.91 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -123.71 138.54 54.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.22 42.2 29.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.4 p -117.66 -179.68 3.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.52 -4.61 37.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.688 ' O ' HG22 ' A' ' 22' ' ' VAL . 93.5 m -104.07 -46.99 4.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 108.278 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -118.41 83.59 21.36 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.593 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 45.6 Cg_endo -92.73 73.23 0.48 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.28 3.32 . . . . 0.0 109.567 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' ALA . 1.2 p-10 -55.49 -167.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.89 34.73 65.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.426 ' O ' ' HA ' ' A' ' 23' ' ' VAL . . . -91.62 135.54 33.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -115.25 136.38 53.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.1 mt -115.34 124.65 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.44 ' HB2' HG23 ' A' ' 21' ' ' THR . 7.1 t70 -160.48 92.49 0.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -116.38 -27.6 6.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 71.3 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.3 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.44 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.4 m -97.82 111.61 23.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 110.428 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 109' ' ' CYS . 66.0 t -96.9 131.03 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 64.8 t -93.98 141.19 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.405 ' C ' ' ND2' ' A' ' 25' ' ' ASN . 51.0 t80 -131.92 159.57 38.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.405 ' ND2' ' C ' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -142.88 125.8 16.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -75.47 -16.34 60.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.6 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.5 p -90.37 15.42 10.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.2 m -112.49 -28.77 7.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.425 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -111.15 22.47 15.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 109.545 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -56.66 -19.05 14.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.29 -2.57 58.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.586 HG12 ' CB ' ' A' ' 36' ' ' ASP . 13.0 t -112.84 131.38 64.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -52.81 157.74 1.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.7 m -72.59 -40.85 66.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 108.278 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.6 p30 -67.71 -8.82 38.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.586 ' CB ' HG12 ' A' ' 32' ' ' VAL . 3.9 t70 -65.27 -18.61 65.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.6 m -130.78 -48.13 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 108.28 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -77.84 79.52 4.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.599 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.427 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 4.2 p80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.584 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 N--CA 1.449 -0.498 0 CA-C-O 118.849 -0.596 . . . . 0.0 109.824 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.1 -176.86 4.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.408 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -75.37 143.46 30.57 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.5 m -80.95 -34.64 33.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 72.2 p -88.91 19.1 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 19.9 m -65.31 156.05 33.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -55.77 153.24 8.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.68 15.68 19.79 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.549 1.156 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 13.6 m -128.84 -135.93 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' A' ' 50' ' ' THR . 44.4 m-70 -88.46 44.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.599 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -84.39 65.84 9.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.8 mm -133.56 108.64 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 47.5 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.1 t -175.18 153.77 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 65' ' ' VAL . 4.4 p -79.22 1.26 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 1.6 m-20 -96.02 13.05 28.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.2 p -78.66 133.5 37.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.511 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 33.2 t-105 -93.21 13.03 22.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 108.005 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.644 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 9.7 t80 -119.06 -7.38 10.37 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.821 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 9.8 tttm -99.77 -44.97 5.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.0 m -64.79 -9.46 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 74.3 t -101.14 -47.85 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -103.6 32.87 3.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.581 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.817 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo . . . . . 0 N--CA 1.447 -1.23 0 N-CA-C 109.58 -0.969 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.817 HG21 ' HB2' ' A' ' 74' ' ' ASP . 43.2 p -123.43 -162.12 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.405 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.2 m -78.82 0.42 27.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 108.293 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 88' ' ' LYS . 7.7 mm -112.94 -46.57 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 t -52.58 -59.25 4.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.028 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.8 t -62.0 -59.78 4.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 108.317 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.423 ' CG ' ' HB3' ' A' ' 101' ' ' LEU . 11.3 m170 -46.75 -31.41 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.632 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 84' ' ' ILE . 0.7 OUTLIER -69.94 -50.75 38.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.17 -38.34 70.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -58.54 -41.88 86.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.642 ' HB1' ' HB2' ' A' ' 98' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.919 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -96.22 -20.0 18.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.642 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 1.4 tmtp? -85.98 23.27 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -138.24 48.21 1.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.895 ' HD2' HD22 ' A' ' 97' ' ' LEU . 12.0 ptpt -165.22 -47.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.423 ' HB3' ' CG ' ' A' ' 87' ' ' HIS . 14.0 mt -87.52 -29.38 21.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 32.8 p -119.52 -2.52 10.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -50.97 122.8 14.93 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.2 m -69.59 -51.15 37.83 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.4 130.89 53.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.61 44.3 16.39 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.3 p -113.93 177.32 4.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 109.979 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.78 -7.01 41.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.649 ' O ' HG22 ' A' ' 22' ' ' VAL . 91.5 m -103.16 -46.39 4.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 108.297 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -117.08 83.95 15.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.567 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 44.5 Cg_endo -91.29 72.78 0.87 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.323 3.349 . . . . 0.0 109.57 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -165.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.02 45.82 92.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.99 138.72 36.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.449 ' HG2' HG22 ' A' ' 23' ' ' VAL . 24.5 mttm -112.71 137.04 51.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.602 HD11 ' HB2' ' A' ' 24' ' ' PHE . 9.1 mt -114.85 125.75 72.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.575 ' HB2' HG23 ' A' ' 21' ' ' THR . 11.0 t0 -161.33 96.19 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -117.61 -29.93 5.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.481 ' O ' HG22 ' A' ' 13' ' ' ILE . 91.4 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.575 HG23 ' HB2' ' A' ' 11' ' ' ASP . 3.4 m -119.2 112.82 19.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.391 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.595 HG22 ' O ' ' A' ' 109' ' ' CYS . 77.2 t -92.79 138.79 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.449 HG22 ' HG2' ' A' ' 9' ' ' LYS . 95.2 t -103.2 139.32 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.602 ' HB2' HD11 ' A' ' 10' ' ' ILE . 51.5 t80 -123.82 175.9 6.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.133 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -160.75 121.73 2.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -74.97 -19.49 60.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.583 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.9 p -87.78 15.74 6.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.033 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.4 m -112.87 -33.74 5.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.376 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -106.88 24.99 11.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.596 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -19.52 17.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -87.06 -1.28 57.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.57 HG12 ' CB ' ' A' ' 36' ' ' ASP . 18.5 t -111.61 128.86 67.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -51.32 156.39 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.8 m -71.99 -38.99 69.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 108.346 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -70.45 -6.93 39.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.57 ' CB ' HG12 ' A' ' 32' ' ' VAL . 2.1 t70 -67.22 -18.42 65.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 99.9 m -130.32 -47.53 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 108.308 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -78.45 81.34 4.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.594 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.486 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 2.7 p80 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.623 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 . . . . . 0 N--CA 1.45 -0.458 0 CA-C-O 118.893 -0.575 . . . . 0.0 109.838 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.77 -177.02 4.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.411 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -74.63 145.54 34.27 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.0 m -81.37 -32.63 32.79 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.8 p -89.04 19.93 3.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.412 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 19.7 m -67.5 156.15 37.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -56.83 153.66 10.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.09 18.05 25.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.4 m -130.4 -131.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -93.74 47.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.575 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -85.85 64.55 8.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.2 mm -131.5 108.92 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 54.9 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.73 164.4 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.938 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.3 p -89.79 24.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -120.09 9.88 11.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 p -76.06 134.67 40.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.499 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 39.5 t-105 -93.66 13.45 22.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 108.05 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.632 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 6.0 t80 -118.73 -11.14 9.86 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.843 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 5.8 ttmm -98.0 -44.87 6.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 26.9 m -64.62 -8.75 5.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 71.9 t -103.66 -46.13 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -103.58 31.65 4.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.579 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.826 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo . . . . . 0 N--CA 1.447 -1.221 0 N-CA-C 109.563 -0.976 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.826 HG21 ' HB2' ' A' ' 74' ' ' ASP . 41.6 p -129.58 -164.47 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.369 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.9 m -78.15 -4.25 46.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 108.281 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 88' ' ' LYS . 6.6 mm -110.32 -44.17 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.538 ' H ' ' HG ' ' A' ' 85' ' ' SER . 0.7 OUTLIER -53.41 -60.35 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.963 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.4 t -60.67 -58.79 6.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.322 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -46.54 -37.95 8.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.589 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 84' ' ' ILE . 14.2 mtpt -60.38 -48.34 82.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -56.42 -40.62 75.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -61.76 -40.62 95.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.604 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.789 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -75.7 -20.8 58.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -86.01 22.69 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.46 46.41 1.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.482 ' HE2' HD22 ' A' ' 97' ' ' LEU . 6.4 ptmt -166.33 -45.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.422 ' CD1' HD11 ' A' ' 97' ' ' LEU . 16.0 mt -91.89 -32.26 15.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.9 p -120.06 2.94 10.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.406 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.7 117.29 9.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.2 m -60.95 -52.39 65.23 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.62 133.81 53.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.36 45.35 11.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.4 p -119.13 -179.51 3.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 110.023 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.24 -4.0 33.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.595 ' O ' HG22 ' A' ' 22' ' ' VAL . 87.0 m -105.88 -46.54 4.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 108.286 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -117.32 83.64 16.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.609 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 43.4 Cg_endo -91.62 72.53 0.8 Allowed 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.287 3.324 . . . . 0.0 109.568 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 98.4 p . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.907 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -164.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.17 35.08 70.21 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.7 97.3 9.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 0.747 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.432 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -70.79 142.16 51.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.504 HD11 ' HB2' ' A' ' 24' ' ' PHE . 11.4 mt -123.36 121.65 63.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.491 ' HB2' HG23 ' A' ' 21' ' ' THR . 5.8 t70 -160.95 91.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -115.35 -25.85 7.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.4 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.6 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.491 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -104.89 112.35 25.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.432 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 109' ' ' CYS . 71.0 t -98.26 141.67 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.2 t -105.29 140.68 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.504 ' HB2' HD11 ' A' ' 10' ' ' ILE . 45.2 t80 -133.75 150.29 51.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 48.7 t-20 -135.53 142.43 45.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.454 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 14.9 m80 -87.11 -21.06 26.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.607 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.22 6.28 17.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.5 m -102.09 -39.5 7.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.442 ' CE1' ' CE1' ' A' ' 24' ' ' PHE . 46.8 m80 -102.73 23.65 11.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.609 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -56.68 -18.69 13.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.23 -0.44 57.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.579 HG12 ' CB ' ' A' ' 36' ' ' ASP . 17.4 t -112.65 130.8 65.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -51.61 160.97 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.6 m -75.56 -40.39 56.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 108.332 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.0 p30 -68.4 -8.19 38.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.579 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.6 t70 -66.21 -18.03 65.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 86.4 m -131.66 -48.84 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 108.321 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -77.58 68.0 3.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.574 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 5.8 p80 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.574 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 . . . . . 0 N--CA 1.45 -0.473 0 CA-C-O 118.866 -0.588 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.37 175.73 9.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.402 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -66.91 139.77 37.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.464 1.103 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.2 m -75.36 -29.57 59.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 50.4 p -91.59 23.12 3.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 89.5 m -71.97 154.98 40.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -54.67 153.29 6.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.352 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.45 25.43 49.4 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.464 1.103 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.1 m -138.92 -131.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.255 -1.016 . . . . 0.0 108.255 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.407 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 45.9 m-70 -94.19 49.95 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.595 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -88.3 63.08 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.2 mm -132.31 115.33 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.5 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.0 tttt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.9 p -175.51 162.3 2.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 65' ' ' VAL . 6.1 p -85.13 9.48 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.407 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 1.6 m-20 -104.33 14.32 30.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.6 p -78.0 133.25 38.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.527 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 30.8 t-105 -94.4 14.38 20.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 107.999 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.626 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 15.2 t80 -124.14 -1.27 8.25 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.802 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 74' ' ' ASP . 2.7 ttmm -107.69 -37.06 6.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 28.0 m -73.79 -2.28 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.7 t -105.4 -54.62 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -92.94 24.24 3.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.591 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.788 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.59 1.181 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo . . . . . 0 N--CA 1.447 -1.21 0 N-CA-C 109.581 -0.969 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.788 HG21 ' CB ' ' A' ' 74' ' ' ASP . 34.2 p -140.44 -166.58 2.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.403 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.7 m -76.74 -3.86 40.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 108.293 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.464 ' CG2' ' HD2' ' A' ' 88' ' ' LYS . 8.7 mm -112.26 -43.9 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.84 -62.13 1.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.969 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.4 t -59.75 -57.66 11.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 108.31 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.41 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 8.0 m170 -46.83 -38.94 11.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.6 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.464 ' HD2' ' CG2' ' A' ' 84' ' ' ILE . 3.9 mtpp -60.01 -48.18 82.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 1.067 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -56.53 -39.76 73.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.347 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -63.73 -43.82 95.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.615 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.707 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -78.74 -15.77 58.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -86.31 24.07 1.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -143.92 47.42 1.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.548 ' HE2' HD22 ' A' ' 97' ' ' LEU . 7.6 ptmt -168.02 -45.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.482 ' CD1' HD11 ' A' ' 97' ' ' LEU . 13.1 mt -91.6 -31.91 15.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.4 p -122.35 5.2 9.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.383 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.72 116.27 9.11 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.72 -50.15 74.96 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -123.22 135.53 54.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.15 43.04 27.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.969 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 55.2 p -114.52 175.03 5.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.04 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.94 -7.23 44.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.36 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.673 ' O ' HG22 ' A' ' 22' ' ' VAL . 99.9 m -101.86 -46.94 4.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 108.288 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -117.64 83.52 17.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.616 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 44.7 Cg_endo -91.76 71.71 0.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.294 3.33 . . . . 0.0 109.606 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.956 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 5' ' ' ALA . 1.7 p-10 -53.85 -172.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.87 44.47 30.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.65 96.87 7.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.478 ' HD3' ' CG2' ' A' ' 21' ' ' THR . 0.0 OUTLIER -71.25 145.97 49.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.578 HD11 ' HB2' ' A' ' 24' ' ' PHE . 13.0 mt -125.89 125.96 69.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -165.11 91.85 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -114.93 -27.77 7.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.1 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.8 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.478 ' CG2' ' HD3' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -119.2 113.63 21.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.399 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.859 HG22 ' O ' ' A' ' 109' ' ' CYS . 59.6 t -100.89 132.01 47.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.7 t -96.12 133.46 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.578 ' HB2' HD11 ' A' ' 10' ' ' ILE . 43.5 t80 -128.99 151.81 49.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 23.5 t30 -140.32 145.29 37.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.45 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 16.7 m80 -86.32 -27.5 24.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.589 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.431 ' H ' ' HG ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -74.03 -1.77 21.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.008 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 84.7 m -92.65 -41.21 10.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -102.54 24.33 10.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.608 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -18.74 12.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.92 3.12 55.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.48 HG12 ' CB ' ' A' ' 36' ' ' ASP . 42.6 t -114.3 132.76 62.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -53.04 158.98 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.6 m -74.75 -42.0 59.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 108.287 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.8 p30 -67.32 -9.01 36.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.48 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.5 t0 -65.04 -18.56 65.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 91.7 m -130.71 -49.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 108.302 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -76.24 77.41 3.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.579 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.541 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 2.8 p80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.546 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 N--CA 1.449 -0.495 0 CA-C-O 118.896 -0.573 . . . . 0.0 109.829 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.78 -178.89 6.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.59 141.22 33.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.3 m -77.87 -30.73 50.99 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 35.6 p -93.02 20.62 6.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.37 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.9 m -66.95 156.71 35.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.4 153.56 7.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.98 15.86 22.73 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.591 1.182 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.1 m -129.44 -136.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.412 ' O ' ' HA ' ' A' ' 50' ' ' THR . 37.3 m-70 -89.57 46.41 1.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.546 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -81.89 65.66 7.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.3 mm -132.5 108.05 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.2 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.5 tttt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.9 p -176.38 163.63 2.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.947 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 65' ' ' VAL . 6.7 p -88.46 38.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 31.5 m120 -130.54 9.14 5.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 p -76.21 134.86 39.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.013 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.533 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 35.8 t-105 -95.29 17.15 14.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 107.997 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.615 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 17.9 t80 -123.08 -3.87 8.53 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.781 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 4.6 ttmt -108.83 -41.8 4.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 29.6 m -64.2 -9.5 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.8 t -100.81 -50.25 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -96.72 26.58 4.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.57 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.613 ' CB ' HG21 ' A' ' 82' ' ' THR . 1.2 m-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo . . . . . 0 N--CA 1.447 -1.242 0 N-CA-C 109.612 -0.957 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.613 HG21 ' CB ' ' A' ' 74' ' ' ASP . 40.3 p -126.38 -166.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.394 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.4 m -79.89 -2.42 43.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 108.262 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 88' ' ' LYS . 3.9 mm -112.45 -43.08 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.96 -60.87 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 8.7 t -61.85 -57.54 11.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.331 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.448 ' CG ' ' HB3' ' A' ' 101' ' ' LEU . 9.7 m170 -46.47 -34.39 4.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.598 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 84' ' ' ILE . 2.9 mmtp -66.23 -48.66 69.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -56.13 -40.7 74.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.3 mmtm -60.09 -39.1 84.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 98' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.242 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.913 HD22 ' HD3' ' A' ' 100' ' ' LYS . 0.8 OUTLIER -73.89 -21.41 60.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.518 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 13.0 ttmm -85.69 21.81 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -135.92 44.98 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.913 ' HD3' HD22 ' A' ' 97' ' ' LEU . 7.2 ptmm? -162.45 -48.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.448 ' HB3' ' CG ' ' A' ' 87' ' ' HIS . 13.6 mt -86.78 -32.14 20.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 36.6 p -118.53 7.81 11.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -63.6 116.57 9.42 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.27 -57.79 11.28 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -121.21 138.71 54.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.08 42.04 37.84 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.2 p -116.87 179.21 4.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.783 . . . . 0.0 110.03 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.43 -10.82 60.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.859 ' O ' HG22 ' A' ' 22' ' ' VAL . 98.7 m -97.07 -47.83 5.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 108.342 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -118.47 84.04 22.74 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.606 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 49.6 Cg_endo -92.71 70.81 0.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.283 3.322 . . . . 0.0 109.606 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.53 -179.17 5.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.58 39.7 78.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.147 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.57 112.61 21.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -71.1 144.84 50.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.692 HD11 ' HB2' ' A' ' 24' ' ' PHE . 11.2 mt -126.27 123.77 64.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.705 ' HB2' HG23 ' A' ' 21' ' ' THR . 5.7 t70 -158.97 91.52 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -116.11 -26.3 7.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.8 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.5 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.705 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -123.37 120.8 34.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 109' ' ' CYS . 76.0 t -101.34 149.73 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.7 t -111.96 144.0 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.692 ' HB2' HD11 ' A' ' 10' ' ' ILE . 37.1 t80 -134.31 146.76 50.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.426 ' OD1' ' CB ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -137.3 124.26 21.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -73.31 -18.97 61.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.581 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.8 p -85.52 10.5 12.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.961 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.426 ' CB ' ' OD1' ' A' ' 25' ' ' ASN . 19.3 m -106.08 -40.1 5.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.383 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -101.98 23.35 11.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.639 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -56.6 -19.48 16.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -89.0 -0.47 57.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.484 HG12 ' CB ' ' A' ' 36' ' ' ASP . 45.1 t -111.11 131.8 61.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.304 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -51.82 157.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.1 m -73.92 -41.58 61.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 108.29 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.8 p30 -66.88 -9.51 38.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.484 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.5 t70 -64.87 -18.54 65.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 81.1 m -131.23 -48.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 108.277 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -78.0 87.65 4.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.609 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.457 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 3.4 p80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.601 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 N--CA 1.449 -0.509 0 CA-C-O 118.899 -0.572 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -127.14 -175.94 3.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.411 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -72.5 143.11 33.56 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.6 m -79.03 -35.02 43.37 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 18.2 p -89.37 20.0 4.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 27.7 m -65.78 156.79 32.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.076 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -55.31 153.59 6.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.61 15.82 19.83 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 51' ' ' THR . 13.2 m -129.6 -136.62 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 50' ' ' THR . 41.1 m-70 -88.4 44.19 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.614 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -81.97 67.09 7.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.7 mm -133.28 108.59 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.2 mt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 72.4 tttt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.3 p -175.98 161.57 2.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.657 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.4 p -88.41 38.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 31.1 m120 -134.23 10.41 3.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 p -77.98 134.1 37.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.514 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 35.6 t-105 -93.11 14.09 18.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 108.022 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.63 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 8.1 t80 -120.79 -10.48 9.14 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.844 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.548 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 18.2 ttpp -98.98 -44.77 6.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.6 m -63.8 -7.88 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.5 t -104.59 -45.86 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -102.39 29.74 5.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.584 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.596 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo . . . . . 0 N--CA 1.448 -1.197 0 N-CA-C 109.631 -0.95 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.596 HG21 ' HB2' ' A' ' 74' ' ' ASP . 30.3 p -137.4 -165.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.396 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.8 m -78.56 -4.31 48.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 108.287 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 88' ' ' LYS . 3.9 mm -111.77 -43.53 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.91 -62.33 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 17.2 t -60.04 -55.84 29.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 108.332 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.422 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 7.2 m170 -47.15 -38.47 11.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.579 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 84' ' ' ILE . 8.6 mttt -60.42 -46.06 91.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -56.81 -40.65 76.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -63.29 -41.09 98.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.627 ' HB1' ' HB2' ' A' ' 98' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.738 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -88.09 -30.81 19.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.627 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 23.8 ttpp -79.3 8.02 6.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -120.33 44.58 2.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 107' ' ' SER . 6.5 ptmt -166.3 -46.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.422 ' HB3' ' ND1' ' A' ' 87' ' ' HIS . 15.4 mt -87.72 -29.77 20.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 28.6 p -122.04 4.59 9.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.36 127.54 45.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -71.7 -54.26 10.87 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -121.28 131.46 54.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.42 44.67 12.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 47.6 p -115.7 176.96 4.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 0.77 . . . . 0.0 110.037 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.27 -7.61 43.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.458 ' O ' HG22 ' A' ' 22' ' ' VAL . 85.6 m -102.75 -46.22 4.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 108.31 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -117.41 83.54 16.73 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.589 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 43.3 Cg_endo -91.67 73.61 0.71 Allowed 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.294 3.329 . . . . 0.0 109.598 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.99 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -56.64 -164.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.453 ' N ' ' OD2' ' A' ' 6' ' ' ASP . . . 80.97 -0.65 86.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 135.59 57.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.256 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.538 ' HG2' HG22 ' A' ' 23' ' ' VAL . 61.4 mttt -118.76 137.66 53.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mt -111.65 126.64 69.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.568 ' HB2' HG23 ' A' ' 21' ' ' THR . 2.9 t70 -161.36 86.24 0.67 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -113.7 -26.9 8.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.7 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.963 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.2 mt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.568 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.6 m -89.97 111.69 22.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.614 HG22 ' O ' ' A' ' 109' ' ' CYS . 75.0 t -96.84 125.16 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.538 HG22 ' HG2' ' A' ' 9' ' ' LYS . 91.3 t -88.49 146.64 5.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -138.87 147.82 42.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 49.5 t-20 -133.3 141.29 47.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.449 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 17.5 m80 -86.53 -20.45 27.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.601 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.79 6.93 16.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 92.0 m -103.23 -40.38 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 110.396 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -100.86 23.81 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.636 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -19.23 13.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.31 2.06 53.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.574 HG12 ' CB ' ' A' ' 36' ' ' ASP . 20.0 t -115.73 131.88 66.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -53.49 163.39 0.64 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.8 m -76.46 -42.94 41.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 108.269 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.5 p30 -65.87 -9.28 27.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.574 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.3 t0 -65.54 -17.6 64.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 93.9 m -132.02 -49.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.3 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -76.99 76.75 3.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.622 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.472 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 3.4 p80 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.656 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 . . . . . 0 N--CA 1.449 -0.522 0 CA-C-O 118.897 -0.573 . . . . 0.0 109.801 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.33 -176.46 3.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.406 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -76.95 140.11 24.41 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.6 m -74.78 -31.19 61.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.7 p -90.24 22.93 3.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 91.6 m -72.6 156.09 39.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.413 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -55.92 154.67 7.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.51 23.5 35.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.567 1.167 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 18.3 m -136.64 -130.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.413 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 49.6 m-70 -95.34 50.05 1.23 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 109.568 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -87.39 65.05 8.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.17 . . . . 0.0 109.337 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.7 mm -131.21 109.72 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.8 mt . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 m -63.58 160.91 15.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.011 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.0 p -85.97 41.66 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.236 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.413 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 1.9 m-20 -126.4 12.67 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.405 ' OG ' ' CB ' ' A' ' 70' ' ' LYS . 94.7 p -75.21 133.09 41.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.517 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 39.9 t-105 -96.74 16.27 19.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 108.022 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 11.7 t80 -123.92 -4.08 8.09 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.848 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.571 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 9.6 ttpp -107.83 -42.56 4.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 34.8 m -64.27 -8.36 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.0 t -102.35 -43.37 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -106.22 34.45 3.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.596 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.571 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 N--CA 1.447 -1.233 0 N-CA-C 109.608 -0.959 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 46.9 p -123.46 -165.61 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.424 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.7 m -82.85 1.9 36.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 108.298 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.454 HD13 ' HA ' ' A' ' 84' ' ' ILE . 9.6 mm -114.7 -43.48 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 m -53.52 -61.4 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.8 t -61.69 -58.55 7.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 108.281 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.42 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 7.2 m170 -45.56 -39.24 7.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.62 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.536 ' HE3' HG21 ' A' ' 102' ' ' THR . 9.6 mmtp -59.6 -49.58 77.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -54.39 -40.34 68.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.381 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -63.51 -44.6 93.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.662 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.662 HD12 ' HB2' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -79.61 -21.78 44.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -85.96 22.03 1.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -142.27 46.83 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 107' ' ' SER . 7.4 ptmt -167.86 -44.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.355 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.481 ' CD1' HD11 ' A' ' 97' ' ' LEU . 12.7 mt -92.02 -33.42 14.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.536 HG21 ' HE3' ' A' ' 88' ' ' LYS . 21.6 p -121.35 7.81 10.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -62.62 113.21 5.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -56.25 -53.05 61.86 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -124.6 135.71 53.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.122 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.41 46.22 12.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 54.2 p -120.46 -179.32 3.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.16 -4.05 33.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.614 ' O ' HG22 ' A' ' 22' ' ' VAL . 92.5 m -105.2 -48.49 3.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 108.302 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -117.75 82.84 17.02 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.629 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 43.9 Cg_endo -92.32 69.49 0.75 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.26 3.307 . . . . 0.0 109.575 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.984 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' ALA . 2.7 p-10 -53.63 -172.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.12 39.53 62.76 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.51 112.93 24.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -90.79 133.35 35.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.414 HD11 ' HB2' ' A' ' 24' ' ' PHE . 19.2 mt -114.12 115.69 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.638 ' HB2' HG23 ' A' ' 21' ' ' THR . 11.7 t70 -151.34 93.31 1.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -115.17 -26.73 7.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.9 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.0 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.638 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.4 m -109.94 111.59 23.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.376 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 109' ' ' CYS . 72.6 t -91.46 141.63 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.3 t -106.78 135.11 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.363 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.414 ' HB2' HD11 ' A' ' 10' ' ' ILE . 38.7 t80 -127.21 148.2 50.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -135.34 125.68 26.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -74.32 -9.65 58.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.624 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 p -93.3 15.3 15.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.959 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.8 m -113.71 -37.71 4.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.381 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -101.98 23.17 11.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.636 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -19.6 15.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -87.14 0.08 55.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.484 HG12 ' CB ' ' A' ' 36' ' ' ASP . 34.6 t -113.73 130.38 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -52.09 158.94 0.99 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.1 m -74.42 -41.76 60.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 108.304 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -67.47 -8.96 37.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.484 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.3 t70 -65.43 -18.15 65.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 95.2 m -130.77 -48.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 108.269 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -77.37 86.28 3.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.597 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 5.3 p80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.627 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 . . . . . 0 N--CA 1.45 -0.462 0 CA-C-O 118.89 -0.576 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -122.52 -178.45 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.41 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -77.29 139.68 23.56 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.6 m -74.66 -31.78 62.04 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.6 p -90.26 22.22 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 87.7 m -71.44 155.43 40.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.412 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -55.0 152.09 8.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.78 25.94 52.96 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.5 m -138.58 -132.76 0.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 47.9 m-70 -92.97 49.69 1.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.564 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -90.69 67.0 6.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.3 mm -133.02 108.44 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 63.7 mt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 tttp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.5 155.12 1.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.996 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 65' ' ' VAL . 4.3 p -80.76 3.79 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.107 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.402 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 29.0 m120 -97.37 9.57 41.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 p -75.68 134.08 40.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.538 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 29.0 t-105 -96.42 14.88 22.96 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.642 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 13.4 t80 -119.84 -7.32 10.01 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.828 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.571 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 11.4 ttmm -101.16 -43.74 5.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 26.4 m -64.75 -9.09 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.3 t -100.83 -57.25 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -91.62 24.4 3.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.558 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.761 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 N--CA 1.448 -1.202 0 N-CA-C 109.607 -0.959 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.761 HG21 ' CB ' ' A' ' 74' ' ' ASP . 25.4 p -138.77 -165.0 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.41 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m -77.5 -5.68 50.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 108.346 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 88' ' ' LYS . 9.4 mm -110.14 -44.01 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.69 -60.57 3.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.969 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.4 t -60.23 -58.0 10.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.272 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.4 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 8.8 m170 -47.1 -38.14 10.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.585 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -61.32 -47.88 83.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -55.49 -40.16 71.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -62.99 -41.22 99.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.545 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.729 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -76.23 -19.98 57.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -86.37 23.8 1.51 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -142.92 47.76 1.52 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.421 ' HE2' HD22 ' A' ' 97' ' ' LEU . 7.1 ptmt -167.91 -45.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.538 ' CD1' HD11 ' A' ' 97' ' ' LEU . 19.3 mt -90.52 -30.7 17.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.8 p -122.35 0.87 9.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.368 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.56 119.72 17.76 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.3 m -62.52 -49.67 74.42 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.95 137.36 54.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.25 40.43 49.49 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 35.4 p -110.92 176.19 5.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.4 -5.12 37.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.492 ' O ' HG22 ' A' ' 22' ' ' VAL . 93.5 m -103.88 -46.17 4.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 108.303 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -117.44 83.76 17.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.591 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 49.0 Cg_endo -90.99 72.16 1.01 Allowed 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.276 3.317 . . . . 0.0 109.614 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 110.016 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -52.48 -175.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.29 0.78 87.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 24' ' ' PHE . . . -61.16 138.19 58.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.456 ' HG2' HG22 ' A' ' 23' ' ' VAL . 19.4 mttp -121.13 136.63 54.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.454 HD11 ' HB2' ' A' ' 24' ' ' PHE . 8.7 mt -111.19 131.16 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.445 ' HB2' HG23 ' A' ' 21' ' ' THR . 3.7 t70 -165.07 92.78 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -115.54 -27.34 7.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.8 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.328 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.445 HG23 ' HB2' ' A' ' 11' ' ' ASP . 2.6 m -108.81 112.15 24.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.455 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 109' ' ' CYS . 77.1 t -93.93 130.9 42.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.456 HG22 ' HG2' ' A' ' 9' ' ' LYS . 65.3 t -94.63 130.59 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.47 ' CE1' ' CE1' ' A' ' 29' ' ' HIS . 35.6 t80 -126.0 143.5 51.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -127.71 126.97 42.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -74.34 -19.25 60.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.576 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.0 p -86.95 14.12 7.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 92.7 m -110.06 -33.72 6.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.47 ' CE1' ' CE1' ' A' ' 24' ' ' PHE . 56.6 m80 -105.35 22.21 15.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.572 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -19.04 14.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.3 -2.01 57.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.577 HG12 ' CB ' ' A' ' 36' ' ' ASP . 12.0 t -114.02 134.94 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -55.52 161.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.9 m -75.41 -41.66 55.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 108.256 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -67.05 -8.64 31.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.577 ' CB ' HG12 ' A' ' 32' ' ' VAL . 2.2 t70 -64.72 -18.94 65.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 72.3 m -131.39 -49.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 108.309 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -73.4 70.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.598 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 1.9 p80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.591 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 N--CA 1.449 -0.516 0 CA-C-O 118.913 -0.565 . . . . 0.0 109.855 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.15 -176.22 2.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.401 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -73.63 149.49 41.81 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.3 m -79.78 -30.44 40.65 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.3 p -89.81 21.45 3.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.368 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 27.9 m -70.04 156.35 39.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.341 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -56.62 154.4 8.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.22 19.98 26.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.4 m -132.74 -131.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -94.58 48.44 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.616 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -85.16 65.94 9.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.0 mm -133.06 119.04 35.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.8 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.916 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.92 161.44 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.989 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.0 p -85.57 11.87 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -106.85 9.21 30.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.1 p -75.48 135.48 40.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.524 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 33.2 t-105 -95.58 14.3 23.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 108.012 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.645 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 5.2 t80 -119.88 -9.91 9.6 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.857 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.589 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 16.1 ttpp -98.44 -45.06 6.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 29.3 m -63.03 -8.89 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 83.9 t -105.31 -42.12 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -107.14 34.32 3.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.629 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.589 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo . . . . . 0 N--CA 1.447 -1.237 0 N-CA-C 109.553 -0.98 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.498 HG21 ' HB3' ' A' ' 74' ' ' ASP . 35.8 p -138.83 -166.54 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.444 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.5 m -77.72 -4.77 47.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 108.304 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 88' ' ' LYS . 3.2 mm -111.53 -43.66 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.82 -62.43 1.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.975 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 17.7 t -60.21 -56.33 22.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 108.315 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.416 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 8.8 m170 -46.49 -38.5 9.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.592 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 84' ' ' ILE . 10.8 mtpt -60.06 -46.27 90.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -56.85 -40.89 76.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -62.02 -40.07 94.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.445 ' HB1' ' HB2' ' A' ' 98' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.909 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -72.89 -21.34 60.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.445 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 24.4 ttpp -85.3 16.55 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.08 44.35 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.881 ' HD2' HD22 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -163.33 -47.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.416 ' HB3' ' ND1' ' A' ' 87' ' ' HIS . 11.0 mt -88.24 -31.02 19.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.9 p -121.75 8.66 10.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.437 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.57 129.07 33.31 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.96 -57.3 5.18 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -120.39 139.21 53.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.26 39.22 52.67 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 59.9 p -112.64 179.87 3.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 0.795 . . . . 0.0 110.061 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.44 -2.76 30.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.703 ' O ' HG22 ' A' ' 22' ' ' VAL . 86.5 m -105.66 -47.99 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 108.303 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -118.09 82.74 18.24 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 43.7 Cg_endo -92.35 70.27 0.71 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.306 3.337 . . . . 0.0 109.638 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 5' ' ' ALA . 0.8 OUTLIER -55.42 -167.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.74 33.81 71.63 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.441 1.088 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.424 ' O ' ' HA ' ' A' ' 23' ' ' VAL . . . -89.13 137.12 32.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -117.63 135.5 53.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.1 mt -113.36 124.72 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.599 ' HB2' HG23 ' A' ' 21' ' ' THR . 8.7 t0 -156.65 90.1 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -115.41 -25.15 8.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 71.9 mt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.5 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.599 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.1 m -89.65 111.64 22.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.358 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 109' ' ' CYS . 55.0 t -91.9 137.71 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 95.8 t -103.35 134.43 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.075 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.458 ' CE1' ' CE1' ' A' ' 29' ' ' HIS . 28.9 t80 -124.07 169.2 11.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.046 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -151.81 125.4 8.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -76.78 -17.26 59.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.592 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.2 p -88.26 15.81 7.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.3 m -114.27 -32.13 6.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.401 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.458 ' CE1' ' CE1' ' A' ' 24' ' ' PHE . 51.3 m80 -107.01 22.34 16.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.607 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.55 -18.69 12.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.75 -2.63 58.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.566 HG12 ' CB ' ' A' ' 36' ' ' ASP . 21.6 t -112.47 129.18 68.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -51.11 159.83 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.7 m -74.32 -40.8 61.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 108.356 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -68.46 -8.17 38.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.566 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.6 t70 -66.1 -18.09 65.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 87.2 m -131.5 -48.88 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 108.333 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -76.6 79.24 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.618 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.445 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 4.3 p80 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.582 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 . . . . . 0 N--CA 1.45 -0.46 0 CA-C-O 118.899 -0.572 . . . . 0.0 109.818 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -120.44 -177.06 3.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.407 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -74.91 143.97 31.76 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.2 m -78.88 -32.03 45.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.2 p -90.79 20.21 4.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 26.9 m -67.38 155.83 37.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.75 154.43 6.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.44 16.13 19.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.1 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 51' ' ' THR . 13.7 m -130.07 -134.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.421 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 41.1 m-70 -90.97 45.52 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.579 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -85.98 67.8 10.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.4 mm -132.74 109.26 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.947 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.1 mttm . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.0 p -176.31 164.95 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 65' ' ' VAL . 4.5 p -88.53 39.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.421 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 29.5 m120 -132.71 9.13 4.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.74 134.39 38.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.03 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.532 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 33.2 t-105 -93.52 15.78 15.2 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.612 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 14.5 t80 -122.23 -2.99 9.01 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.822 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 5.4 ttmt -107.39 -42.77 4.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.3 m -64.43 -8.25 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.6 t -102.17 -53.75 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -94.24 25.32 3.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 109.598 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.74 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo . . . . . 0 N--CA 1.447 -1.211 0 N-CA-C 109.59 -0.965 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.74 HG21 ' CB ' ' A' ' 74' ' ' ASP . 28.1 p -137.51 -165.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.386 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.3 m -77.69 -6.62 54.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 0.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.42 ' O ' ' HB2' ' A' ' 88' ' ' LYS . 2.8 mm -109.99 -45.03 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.37 -61.8 2.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.04 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.9 t -58.58 -55.63 32.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 108.319 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.434 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 10.0 m170 -47.31 -33.91 6.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.59 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.472 ' HE3' ' CB ' ' A' ' 102' ' ' THR . 0.0 OUTLIER -61.85 -46.37 89.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -55.53 -41.11 72.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -64.35 -40.06 95.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.469 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.744 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -68.98 -16.45 63.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -86.19 24.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -142.08 47.4 1.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.349 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.731 ' HD2' HD22 ' A' ' 97' ' ' LEU . 8.8 ptpt -167.38 -47.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.5 ' CD1' HD11 ' A' ' 97' ' ' LEU . 15.3 mt -88.76 -32.59 17.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.472 ' CB ' ' HE3' ' A' ' 88' ' ' LYS . 23.9 p -121.61 13.59 10.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.436 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -70.56 130.93 21.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.1 -52.48 12.48 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.741 ' HD2' ' OXT' ' A' ' 112' ' ' SER . 1.4 tppp? -118.71 130.71 55.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.03 44.16 19.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 66.2 p -112.29 172.97 6.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.774 . . . . 0.0 110.011 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.76 -7.38 39.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.549 ' O ' HG22 ' A' ' 22' ' ' VAL . 84.7 m -102.95 -45.81 4.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 108.315 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -117.01 83.88 15.46 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.567 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 44.1 Cg_endo -91.43 71.55 0.93 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.321 3.347 . . . . 0.0 109.581 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.741 ' OXT' ' HD2' ' A' ' 105' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.956 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.78 -164.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.66 27.83 73.56 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.54 138.54 36.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 0.798 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.895 ' HD3' HG22 ' A' ' 23' ' ' VAL . 12.4 mmtm -114.85 133.74 55.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.5 mt -115.46 125.69 72.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.5 ' HB2' HG23 ' A' ' 21' ' ' THR . 5.6 t0 -160.94 90.51 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -115.16 -26.1 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.3 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.247 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.8 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.5 HG23 ' HB2' ' A' ' 11' ' ' ASP . 0.2 OUTLIER -82.88 113.88 20.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 110.399 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.2 t -98.86 146.28 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.895 HG22 ' HD3' ' A' ' 9' ' ' LYS . 84.5 t -107.9 148.82 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -142.95 132.17 23.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -114.13 124.24 51.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -73.89 -17.14 61.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.576 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.4 p -88.9 13.97 11.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.8 m -111.09 -35.87 5.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.375 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -101.96 23.75 11.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.641 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -56.2 -21.7 24.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.96 -1.54 56.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.447 HG12 ' CB ' ' A' ' 36' ' ' ASP . 59.8 t -112.27 126.12 69.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -50.26 158.02 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.9 m -73.08 -41.13 64.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 108.286 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -67.99 -8.71 39.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.447 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.9 t70 -65.93 -18.49 65.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 97.8 m -130.77 -48.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 108.344 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -77.37 81.23 3.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.58 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 2.6 p80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.585 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 118.879 -0.581 . . . . 0.0 109.837 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.79 178.57 7.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.402 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -70.52 137.92 28.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.104 . . . . 0.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.8 m -74.98 -28.64 60.64 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.5 p -92.29 23.51 3.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.381 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 91.1 m -73.1 155.56 39.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.435 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -54.92 153.68 6.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.11 25.35 46.57 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.7 m -138.8 -132.38 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -94.02 50.86 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.585 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -90.17 64.45 6.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.4 ' CG1' ' O ' ' A' ' 66' ' ' ASN . 3.3 mm -133.13 109.47 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.9 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.53 161.58 2.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.97 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 65' ' ' VAL . 4.4 p -83.91 8.19 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.4 ' O ' ' CG1' ' A' ' 57' ' ' ILE . 28.7 m120 -102.37 13.05 35.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.4 p -78.32 132.62 37.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.526 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 32.8 t-105 -95.19 14.78 21.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 107.973 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.606 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 10.8 t80 -121.67 -2.73 9.33 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.78 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 19.0 ttpp -106.29 -42.39 5.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.0 m -66.35 -6.42 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 75.2 t -103.78 -44.89 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -107.93 35.21 3.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.615 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.848 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo . . . . . 0 N--CA 1.447 -1.208 0 N-CA-C 109.629 -0.95 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.848 HG21 ' HB2' ' A' ' 74' ' ' ASP . 25.6 p -91.05 -157.86 0.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.423 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 87' ' ' HIS . 3.9 m -75.37 -53.67 8.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 108.324 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.483 ' O ' ' CG ' ' A' ' 88' ' ' LYS . 0.8 OUTLIER -64.08 -38.25 81.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -53.49 -61.43 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.017 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 10.4 t -64.11 -59.27 4.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 108.315 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.453 ' HB2' ' O ' ' A' ' 83' ' ' CYS . 12.7 m170 -43.94 -38.42 3.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.572 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 84' ' ' ILE . 3.7 mmtm -59.24 -50.53 73.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -57.72 -39.94 78.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -59.67 -40.67 88.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.53 ' HB1' ' HB2' ' A' ' 98' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.896 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER -73.83 -22.76 59.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.53 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 10.3 ttmm -85.48 22.69 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -132.95 50.45 2.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.421 ' HD2' HD22 ' A' ' 97' ' ' LEU . 10.5 ptpt -173.04 -41.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.2 mt -92.23 -32.32 15.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.468 ' O ' ' C ' ' A' ' 103' ' ' GLY . 6.1 p -133.14 9.81 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.424 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 104' ' ' CYS . . . -31.46 -54.36 0.32 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.5 OUTLIER 89.7 -41.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -132.66 96.87 3.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 89.03 46.35 4.5 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 54.5 p -104.65 -170.58 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 110.001 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.06 2.11 25.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.339 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.454 ' O ' ' HD3' ' A' ' 111' ' ' PRO . 93.2 m -112.92 -49.66 2.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 108.274 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -116.93 84.45 16.04 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.578 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 43.4 Cg_endo -92.33 64.09 0.8 Allowed 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.376 3.384 . . . . 0.0 109.578 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.0 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 7' ' ' GLY . 1.7 t70 -55.81 168.31 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.443 ' N ' ' CG ' ' A' ' 6' ' ' ASP . . . 73.66 46.67 23.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.06 115.15 28.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 0.9 OUTLIER -89.29 136.84 32.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.502 HD11 ' HB2' ' A' ' 24' ' ' PHE . 11.9 mt -119.01 123.41 71.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.569 ' HB2' HG23 ' A' ' 21' ' ' THR . 10.2 t0 -158.24 95.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -117.73 -27.95 6.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.0 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.343 179.954 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.3 mt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.569 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.7 m -121.95 111.84 17.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.389 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.669 HG22 ' O ' ' A' ' 109' ' ' CYS . 60.7 t -91.81 138.09 20.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.1 t -102.85 126.66 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.57 ' CE1' ' CE1' ' A' ' 29' ' ' HIS . 17.5 t80 -119.5 178.94 4.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -168.95 126.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -74.39 -15.59 60.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.57 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.01 10.4 14.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.3 m -110.33 -31.2 7.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.38 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.57 ' CE1' ' CE1' ' A' ' 24' ' ' PHE . 40.5 m80 -110.2 20.39 17.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.636 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -18.38 14.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.518 ' OD1' HG23 ' A' ' 32' ' ' VAL . 1.5 p-10 -86.68 -2.64 58.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.523 HG12 ' CB ' ' A' ' 36' ' ' ASP . 15.0 t -109.42 133.31 55.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -53.56 159.96 1.39 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 m -75.38 -40.3 58.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 108.323 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.3 p30 -66.54 -9.87 39.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.523 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.2 t70 -64.6 -18.61 65.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.5 m -134.93 -48.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 108.323 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -74.06 73.39 1.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.611 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.451 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 3.6 p80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.633 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 . . . . . 0 N--CA 1.449 -0.519 0 CA-C-O 118.88 -0.581 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -114.59 -177.18 3.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.431 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -70.28 150.08 48.12 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.1 m -81.19 -30.62 34.26 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.2 p -89.42 20.15 4.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 24.3 m -67.96 155.87 38.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.412 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.32 154.01 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.8 18.86 26.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.2 m -131.67 -132.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.418 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 47.2 m-70 -93.43 47.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.579 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -87.37 63.9 7.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.2 mm -131.56 108.52 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 67.3 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -176.15 161.64 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.8 p -88.8 38.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 29.5 m120 -133.41 9.88 4.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.74 134.83 37.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.519 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 32.5 t-105 -91.81 13.33 18.64 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.626 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 10.4 t80 -119.42 -9.2 9.92 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.823 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 5.3 ttmt -100.16 -44.73 5.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.7 m -64.39 -7.99 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.3 t -102.9 -52.05 8.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -96.04 25.66 4.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.615 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.736 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo . . . . . 0 N--CA 1.447 -1.228 0 N-CA-C 109.588 -0.966 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.736 HG21 ' CB ' ' A' ' 74' ' ' ASP . 30.0 p -137.14 -165.78 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.7 m -77.82 -2.57 37.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 108.306 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 88' ' ' LYS . 3.4 mm -113.7 -44.34 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.58 -61.73 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.033 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 8.2 t -58.9 -57.33 13.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 108.268 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.429 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 9.0 m170 -46.62 -39.28 10.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.604 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' ILE . 1.3 mmtt -60.51 -46.04 91.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -58.06 -41.19 82.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -61.16 -36.39 79.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.51 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.813 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -74.06 -21.17 60.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.23 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.427 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 2.3 ttpt -85.77 23.2 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -138.6 47.37 1.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 107' ' ' SER . 6.2 ptmt -167.32 -42.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.429 ' HB3' ' ND1' ' A' ' 87' ' ' HIS . 12.3 mt -91.65 -33.9 14.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 103' ' ' GLY . 19.3 p -127.88 8.48 6.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.372 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.547 ' O ' ' CB ' ' A' ' 104' ' ' CYS . . . -33.06 -57.67 0.5 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.547 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 1.7 t 92.51 -39.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.28 105.49 7.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.63 44.01 13.71 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 40.0 p -102.28 -172.17 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.794 . . . . 0.0 110.044 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -78.46 0.25 26.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.669 ' O ' HG22 ' A' ' 22' ' ' VAL . 88.2 m -108.68 -48.68 3.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 108.252 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -118.04 83.97 20.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.648 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 47.9 Cg_endo -92.71 68.1 0.64 Allowed 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.304 3.336 . . . . 0.0 109.589 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.952 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -56.23 -165.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.37 28.56 72.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.443 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -86.34 136.03 33.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 0.758 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.546 ' HG2' HG22 ' A' ' 23' ' ' VAL . 9.8 mtmm -117.07 136.34 53.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.457 HD11 ' HB2' ' A' ' 24' ' ' PHE . 7.5 mt -112.77 125.47 70.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.555 ' HB2' HG23 ' A' ' 21' ' ' THR . 6.5 t70 -159.78 91.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -115.2 -27.04 7.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.3 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.2 mt . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.555 HG23 ' HB2' ' A' ' 11' ' ' ASP . 2.2 m -102.91 113.0 26.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 109' ' ' CYS . 72.6 t -93.97 129.67 43.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.546 HG22 ' HG2' ' A' ' 9' ' ' LYS . 57.6 t -95.03 143.67 11.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.457 ' HB2' HD11 ' A' ' 10' ' ' ILE . 64.1 t80 -133.1 147.77 52.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -132.26 124.02 28.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.355 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -74.74 -17.54 60.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.616 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.0 p -88.04 13.95 10.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.4 m -110.8 -35.67 5.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.413 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.2 m80 -102.42 23.61 11.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.6 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -19.04 13.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -88.08 0.99 55.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.475 HG12 ' CB ' ' A' ' 36' ' ' ASP . 43.1 t -115.73 131.39 68.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -53.59 159.66 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.4 m -74.54 -42.15 59.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 108.256 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.9 p30 -67.04 -9.28 37.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.475 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.5 t70 -65.11 -18.66 65.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 91.7 m -130.07 -48.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 108.268 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -76.62 78.25 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.569 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.494 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 3.1 p80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.607 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 118.865 -0.588 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -118.82 179.36 4.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -74.58 146.71 36.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.9 m -79.9 -32.07 40.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.6 p -89.11 19.62 4.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.9 m -67.21 156.27 36.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.45 153.53 9.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.42 17.41 25.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.9 m -130.13 -133.44 0.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.409 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 46.4 m-70 -91.82 47.28 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.591 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -85.12 65.56 9.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.7 mm -132.63 109.01 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 26.4 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.24 158.78 2.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.95 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' ' 65' ' ' VAL . 4.6 p -82.55 6.45 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 30.7 m120 -101.06 9.25 42.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.5 p -74.21 134.72 42.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.956 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.54 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 29.0 t-105 -97.37 15.45 22.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.019 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.653 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 7.8 t80 -121.36 -9.16 9.09 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.817 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.557 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 3.6 ttmm -100.0 -44.22 6.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.7 m -63.46 -9.7 5.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.4 t -99.36 -56.5 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -91.69 24.15 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.586 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.754 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo . . . . . 0 N--CA 1.447 -1.241 0 N-CA-C 109.621 -0.954 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.754 HG21 ' CB ' ' A' ' 74' ' ' ASP . 35.0 p -137.48 -165.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.9 m -77.53 -5.42 50.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 108.341 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 88' ' ' LYS . 8.7 mm -110.0 -43.71 5.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.85 -62.0 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.6 t -59.2 -58.06 10.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 108.28 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.438 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 11.6 m170 -47.09 -39.21 12.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.658 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 84' ' ' ILE . 10.0 mmtm -59.95 -48.27 82.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -56.08 -40.33 73.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -62.22 -43.09 99.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.597 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.988 HD22 ' HD2' ' A' ' 100' ' ' LYS . 0.3 OUTLIER -72.57 -13.87 61.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -86.03 23.98 1.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -142.76 49.89 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.988 ' HD2' HD22 ' A' ' 97' ' ' LEU . 4.2 ptpp? -168.71 -45.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.504 ' CD1' HD11 ' A' ' 97' ' ' LEU . 12.8 mt -95.36 -27.39 15.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.1 p -126.49 5.68 6.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.415 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.58 113.63 6.05 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.1 m -54.92 -53.38 56.26 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.3 137.85 54.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.92 42.41 30.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.13 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.7 p -115.91 177.53 4.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.751 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.98 -4.09 33.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.519 ' O ' HG22 ' A' ' 22' ' ' VAL . 87.5 m -104.72 -47.38 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 108.32 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -117.59 83.43 17.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.626 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 43.6 Cg_endo -92.02 71.05 0.78 Allowed 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.273 3.315 . . . . 0.0 109.578 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -57.6 -158.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.443 ' N ' ' OD2' ' A' ' 6' ' ' ASP . . . 66.09 21.52 69.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.46 106.39 16.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 0.74 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -93.48 131.99 38.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.7 mt -109.95 120.56 61.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.454 ' HB2' HG23 ' A' ' 21' ' ' THR . 2.5 t70 -154.01 89.2 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -116.67 -26.79 6.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.8 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 179.945 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.4 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.454 HG23 ' HB2' ' A' ' 11' ' ' ASP . 0.2 OUTLIER -74.35 113.48 11.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 110.422 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 109' ' ' CYS . 56.3 t -99.22 131.34 46.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.244 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.3 t -94.91 147.07 6.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -141.22 150.31 42.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.51 126.89 32.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -73.44 -14.54 61.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.625 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.6 p -88.43 11.56 16.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 91.4 m -109.22 -34.11 6.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -105.64 23.19 14.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.644 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -20.17 20.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.33 -1.99 58.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.464 HG12 ' CB ' ' A' ' 36' ' ' ASP . 41.9 t -111.22 129.89 65.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -52.07 160.32 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.2 m -75.54 -41.29 55.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 108.328 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -67.85 -8.92 40.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.464 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.6 t70 -65.84 -18.44 65.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 95.3 m -131.39 -48.58 0.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 108.322 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -78.05 73.39 4.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.616 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 7.4 p80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.61 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 . . . . . 0 N--CA 1.449 -0.491 0 CA-C-O 118.887 -0.578 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.72 -175.64 3.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.406 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -75.21 144.44 32.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.9 m -79.21 -31.79 43.81 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.353 -0.981 . . . . 0.0 108.353 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.6 p -89.04 19.67 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.44 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 31.5 m -67.37 156.17 37.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -56.3 152.88 10.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.07 21.0 36.8 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 19.0 m -133.45 -133.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.406 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 53.4 m-70 -91.29 48.35 1.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.608 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -87.89 65.02 8.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.6 mm -132.49 109.96 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 67.0 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 mttt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.42 152.99 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.951 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 65' ' ' VAL . 3.7 p -79.32 2.04 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 29.3 m120 -95.77 11.13 34.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 p -76.16 134.36 39.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.951 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.522 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 33.2 t-105 -95.22 15.06 20.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 108.051 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.633 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 13.6 t80 -121.06 -8.18 9.35 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.842 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.544 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 4.8 ttmm -99.26 -43.88 6.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.6 m -64.82 -8.96 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 88.0 t -103.08 -46.14 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -106.1 34.31 3.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.617 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.857 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo . . . . . 0 N--CA 1.447 -1.245 0 N-CA-C 109.641 -0.946 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.857 HG21 ' HB2' ' A' ' 74' ' ' ASP . 40.3 p -129.59 -163.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.389 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.5 m -77.84 -2.04 34.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 108.318 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 88' ' ' LYS . 19.7 mm -112.56 -44.51 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.32 -59.8 4.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 7.8 t -62.03 -58.6 7.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 108.276 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -46.84 -35.93 6.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.544 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 84' ' ' ILE . 3.1 mmtp -62.52 -49.91 73.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -57.4 -38.97 75.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -60.04 -43.84 95.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -89.22 -24.27 22.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -85.41 21.84 1.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.7 mmtm -137.73 43.75 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 107' ' ' SER . 5.2 ptmt -163.53 -47.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.1 mt -89.81 -29.28 18.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.9 p -122.73 2.83 9.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.403 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.89 124.76 36.65 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.5 m -70.74 -47.09 61.53 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -124.32 129.59 51.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.71 44.66 14.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 110.966 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 95.2 p -112.62 174.49 5.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 110.019 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.67 -8.5 42.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.582 ' O ' HG22 ' A' ' 22' ' ' VAL . 92.3 m -102.03 -46.05 4.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 108.295 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -117.03 83.8 15.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.612 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 44.7 Cg_endo -91.32 71.1 1.0 Allowed 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.296 3.331 . . . . 0.0 109.548 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.031 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -162.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.55 29.54 72.92 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 111.062 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.92 135.71 37.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -107.49 129.18 54.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.8 mt -119.09 120.36 63.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.535 ' HB2' HG23 ' A' ' 21' ' ' THR . 10.3 t70 -164.11 93.85 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -116.0 -25.86 7.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.6 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.9 mt . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.535 HG23 ' HB2' ' A' ' 11' ' ' ASP . 0.6 OUTLIER -109.25 116.91 32.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 109' ' ' CYS . 69.3 t -101.8 141.23 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.7 t -106.73 151.58 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -141.15 144.8 35.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -127.64 124.14 37.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -73.9 -18.36 60.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.614 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.8 p -88.47 14.44 9.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.0 m -108.49 -37.44 5.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -100.98 24.22 9.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.65 -22.02 20.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.81 -0.62 55.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.508 HG12 ' CB ' ' A' ' 36' ' ' ASP . 33.8 t -114.36 133.27 60.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -55.57 161.85 1.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.0 m -75.47 -43.45 49.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 108.322 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -64.63 -10.27 25.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.508 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.2 t70 -64.57 -17.95 64.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 90.3 m -130.75 -49.86 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 108.321 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -74.97 57.3 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.618 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.2 p80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.616 -180.0 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 118.889 -0.577 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.64 -175.94 4.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.439 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -78.7 150.46 34.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 18.3 m -80.32 -31.0 38.18 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 16.4 p -89.47 22.91 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.434 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 28.2 m -70.42 155.61 40.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.375 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.96 153.37 8.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.55 24.53 39.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 20.0 m -136.78 -130.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.444 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 52.3 m-70 -94.39 49.5 1.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.601 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -89.46 50.54 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.565 ' O ' HD23 ' A' ' 58' ' ' LEU . 1.6 mm -119.53 141.48 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 57' ' ' ILE . 36.3 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.0 tptp . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.05 155.25 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 65' ' ' VAL . 4.9 p -88.48 40.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.502 ' O ' ' CG1' ' A' ' 57' ' ' ILE . 31.1 m120 -133.51 9.96 4.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.42 140.92 45.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.991 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.511 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 37.9 t-105 -95.42 14.35 22.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 108.027 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.63 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 5.6 t80 -120.82 -15.23 8.39 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.807 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 13.9 ttmm -94.92 -43.94 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.1 m -64.59 -8.23 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.2 t -104.59 -53.17 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -95.07 29.58 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.613 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.747 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.404 ' CB ' ' HB2' ' A' ' 85' ' ' SER . 13.7 Cg_endo . . . . . 0 N--CA 1.447 -1.208 0 N-CA-C 109.582 -0.969 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.747 HG21 ' CB ' ' A' ' 74' ' ' ASP . 41.4 p -130.95 -163.98 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.5 m -78.44 -3.44 43.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.289 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 88' ' ' LYS . 4.4 mm -111.49 -44.38 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.404 ' HB2' ' CB ' ' A' ' 81' ' ' PRO . 0.7 OUTLIER -53.03 -60.48 3.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.002 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.5 t -61.41 -58.44 8.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 108.286 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.421 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 12.4 m170 -46.88 -35.9 6.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 84' ' ' ILE . 2.9 mtpt -62.82 -49.33 75.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -56.65 -40.43 75.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -61.46 -40.6 95.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.468 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.339 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.892 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER -74.6 -20.99 59.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -85.38 20.12 2.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.21 44.71 2.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.769 ' HD2' HD22 ' A' ' 97' ' ' LEU . 8.4 ptpt -163.11 -47.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.421 ' HB3' ' ND1' ' A' ' 87' ' ' HIS . 10.4 mt -90.09 -33.01 16.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 29.3 p -119.55 5.23 11.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.1 115.71 8.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.44 -51.02 71.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.6 141.01 52.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.27 40.04 56.33 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 30.7 p -114.21 -178.7 3.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.779 . . . . 0.0 110.035 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.18 -5.46 44.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.786 ' O ' HG22 ' A' ' 22' ' ' VAL . 85.0 m -103.45 -46.76 4.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.477 1.111 . . . . 0.0 108.264 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -117.96 83.25 18.62 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.592 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 43.9 Cg_endo -92.21 70.5 0.75 Allowed 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.365 3.377 . . . . 0.0 109.607 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.017 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.4 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 1' ' ' VAL . 0.3 OUTLIER 58.11 115.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.409 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 0.5 OUTLIER -54.5 119.58 21.72 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -41.23 163.48 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.3 3.333 . . . . 0.0 109.572 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -87.42 151.55 22.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.428 ' CG ' ' N ' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -57.33 -162.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.428 ' N ' ' CG ' ' A' ' 6' ' ' ASP . . . 68.81 28.73 72.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.422 1.076 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' A' ' 23' ' ' VAL . . . -88.46 136.83 32.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.539 ' HG2' HG22 ' A' ' 23' ' ' VAL . 32.7 mttp -118.1 139.82 50.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.093 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.419 HG22 ' CGD' ' A' ' 116' ' ' HEC . 10.8 mt -114.03 133.11 61.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.467 ' HB2' HG23 ' A' ' 21' ' ' THR . 2.8 t70 -163.07 86.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -115.33 -26.09 7.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.449 ' CG2' ' HD2' ' A' ' 60' ' ' LYS . 61.6 mt -100.12 97.19 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.8 175.42 7.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -142.28 -179.66 19.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -38.9 -64.8 0.85 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -146.91 24.53 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 0.793 . . . . 0.0 110.315 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -137.44 -166.02 1.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.9 p30 178.48 124.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.636 HD12 ' O2A' ' A' ' 116' ' ' HEC . 50.4 mt -85.49 98.32 10.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.467 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.5 m -88.76 111.02 21.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.418 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 109' ' ' CYS . 68.9 t -96.84 139.02 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.539 HG22 ' HG2' ' A' ' 9' ' ' LYS . 90.0 t -99.55 142.01 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -136.22 153.41 51.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 40.7 t-20 -138.23 139.54 39.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.453 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 13.0 m80 -86.64 -21.78 26.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.614 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.39 4.59 17.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.011 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.509 HG21 HBA1 ' A' ' 115' ' ' HEC . 42.7 m -100.95 -39.75 7.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -100.44 23.01 10.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.613 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -56.42 -19.4 14.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.0 2.69 53.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.7 t -115.0 129.61 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.862 ' O ' HMC3 ' A' ' 113' ' ' HEC . 6.2 mttp -51.72 158.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.451 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 8.8 m -73.99 -43.47 57.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 108.312 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -65.62 -10.03 32.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -64.82 -18.01 64.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 81.6 m -131.73 -49.27 0.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 108.344 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -76.93 81.85 3.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.579 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.466 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 3.8 p80 -94.74 43.94 1.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 109.646 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.681 ' HG2' HMC2 ' A' ' 114' ' ' HEC . 1.3 mp0 -106.81 148.13 36.33 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' A' ' 42' ' ' GLY . 11.8 Cg_endo -55.06 151.94 32.23 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.3 3.333 . . . . 0.0 109.588 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 43' ' ' ASP . . . -47.55 176.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER 76.27 -57.84 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.77 . . . . 0.0 109.26 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.551 ' HG3' ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -115.96 29.12 8.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.52 -38.91 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.239 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -107.9 88.44 2.73 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.84 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.551 ' HB2' ' HG3' ' A' ' 44' ' ' LYS . . . -128.09 169.76 13.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.725 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -60.17 143.99 47.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.9 m -79.63 -30.14 41.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 51.6 p -91.23 20.45 5.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.3 m -67.16 155.41 38.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.43 152.99 7.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.38 17.99 34.53 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.3 m -131.95 -135.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.423 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 44.2 m-70 -89.84 47.4 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.585 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -87.85 66.26 8.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.404 ' CG1' ' O ' ' A' ' 66' ' ' ASN . 3.8 mm -133.78 109.2 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 72.2 mt -99.49 76.67 2.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -163.33 121.66 1.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.449 ' HD2' ' CG2' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -87.09 46.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 60' ' ' LYS . . . 178.37 58.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -117.09 176.87 4.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -133.07 84.5 2.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.77 159.19 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 65' ' ' VAL . 4.3 p -81.27 4.03 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.423 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 27.9 m120 -97.78 12.46 33.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 p -78.33 133.75 37.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.038 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 28.1 t-105 -95.47 15.51 19.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 107.945 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.624 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 13.2 t80 -122.96 -1.21 8.87 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.819 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 2.7 ttmm -107.25 -39.34 5.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 35.6 m -69.57 -4.58 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.8 t -104.96 -47.21 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -103.9 31.42 4.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.581 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.765 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.6 OUTLIER -83.14 100.09 10.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 109.247 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.74 -28.78 58.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -73.83 149.96 41.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.33 -148.14 0.18 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.404 ' C ' ' N ' ' A' ' 80' ' ' LYS . . . 141.65 -171.59 24.32 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.74 -25.35 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.764 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 78' ' ' GLY . 6.8 ptmt -157.97 160.35 29.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -77.94 -177.94 4.24 Favored 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 124.288 3.325 . . . . 0.0 109.562 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.765 HG21 ' HB2' ' A' ' 74' ' ' ASP . 37.4 p -131.08 -164.32 1.42 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.442 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.8 m -78.26 -1.9 35.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 108.319 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 88' ' ' LYS . 10.0 mm -112.96 -44.19 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.13 -60.48 3.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 110.011 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.7 t -61.56 -58.89 6.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -45.61 -38.29 6.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.585 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 84' ' ' ILE . 4.3 mmtt -60.53 -47.91 84.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.82 -39.82 74.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -63.13 -43.81 97.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.7 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -92.44 21.99 4.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.415 ' O ' ' CB ' ' A' ' 93' ' ' ASP . . . -86.26 62.84 4.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 92' ' ' GLY . 0.9 OUTLIER 160.71 -56.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 96' ' ' GLU . 50.9 t0 -79.76 123.24 27.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 109.345 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -71.54 -37.7 71.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.447 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 7.8 tp10 -66.68 -25.83 66.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.7 HD12 ' HB2' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -78.31 -20.88 50.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -86.11 22.58 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -142.92 46.66 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 107' ' ' SER . 7.4 ptmt -167.83 -45.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.652 ' O ' HMC1 ' A' ' 116' ' ' HEC . 11.3 mt -90.06 -32.49 16.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.476 ' HA ' HMC2 ' A' ' 116' ' ' HEC . 22.4 p -122.26 1.19 9.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.401 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.35 114.93 5.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.779 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 1.3 m -60.58 -47.13 87.57 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.6 ttmt -124.43 132.34 53.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.34 45.58 14.33 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 30.3 p -115.47 176.27 5.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.957 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.67 -6.0 41.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.682 ' O ' HG22 ' A' ' 22' ' ' VAL . 97.3 m -103.42 -46.28 4.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 108.352 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -116.82 83.88 14.95 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.596 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 57.9 Cg_endo -89.74 70.48 1.86 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.321 3.347 . . . . 0.0 109.595 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 110.034 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.862 HMC3 ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 0.728 HBB3 HMB1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 1.019 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.822 HMC1 HBC3 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.445 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.1 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' ' 1' ' ' VAL . 0.3 OUTLIER 59.0 119.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.418 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -54.61 120.21 25.92 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.418 ' O ' ' O ' ' A' ' 3' ' ' VAL . 37.0 Cg_exo -40.8 163.65 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.302 3.334 . . . . 0.0 109.627 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.27 149.65 40.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -69.44 -179.35 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.48 46.24 56.51 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.94 116.0 28.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -80.49 139.95 36.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.692 HD11 ' HB2' ' A' ' 24' ' ' PHE . 14.3 mt -119.1 128.81 75.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.638 ' HB2' HG23 ' A' ' 21' ' ' THR . 2.3 t70 -164.09 95.75 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -116.3 -27.36 6.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 95.4 mt -94.1 99.11 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.14 174.8 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -145.25 -76.28 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.97 -115.92 0.68 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -41.26 -30.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -145.78 -156.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 170.18 130.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.457 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 19.2 mt -74.87 133.89 41.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.638 HG23 ' HB2' ' A' ' 11' ' ' ASP . 3.9 m -126.24 120.21 29.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.44 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.537 HG21 ' C2D' ' A' ' 116' ' ' HEC . 88.3 t -97.13 150.11 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.0 t -113.62 142.98 24.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.692 ' HB2' HD11 ' A' ' 10' ' ' ILE . 24.1 t80 -129.6 171.98 12.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -163.65 121.67 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -74.45 -11.16 60.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.564 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 87.2 p -92.84 19.85 7.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.026 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.525 HG21 HBA1 ' A' ' 115' ' ' HEC . 7.6 m -119.38 -37.26 3.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.375 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -101.91 23.93 10.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.59 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.54 -19.23 14.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -88.06 -1.79 58.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.53 HG12 ' CB ' ' A' ' 36' ' ' ASP . 39.1 t -111.39 128.73 67.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.838 ' O ' HMC3 ' A' ' 113' ' ' HEC . 11.5 mmpt? -51.29 159.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.464 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 10.9 m -73.85 -43.52 58.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 108.321 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -65.66 -9.57 28.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.53 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.2 t70 -64.59 -18.22 64.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 93.4 m -131.31 -49.02 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 108.316 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -76.39 90.32 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.627 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.476 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 2.8 p80 -104.92 45.07 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.619 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.711 ' HG2' HMC2 ' A' ' 114' ' ' HEC . 1.3 mp0 -106.75 136.07 19.46 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -86.07 149.64 9.43 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.281 3.32 . . . . 0.0 109.576 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.93 164.75 25.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -57.16 -17.97 13.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -91.3 37.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -41.18 -29.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.251 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -106.54 98.87 8.48 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.832 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.81 -177.21 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.848 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -73.46 144.26 34.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.7 m -80.8 -32.83 35.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.7 p -88.99 19.89 3.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 22.9 m -67.1 156.04 37.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.403 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.4 OUTLIER -56.51 153.9 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.0 17.98 24.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 16.3 m -130.84 -132.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -92.55 46.64 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.584 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -86.18 66.11 9.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.2 mm -132.06 108.78 14.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 72.6 mt -102.35 23.59 11.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.67 78.08 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.636 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -47.14 143.37 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 60' ' ' LYS . . . 80.05 46.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -104.75 173.16 6.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.29 81.16 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t -176.74 160.54 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.977 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.663 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.0 p -88.4 38.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -131.04 9.27 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.22 135.02 38.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.17 . . . . 0.0 109.981 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.497 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 40.9 t-105 -92.24 13.34 19.46 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.61 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 14.5 t80 -118.21 -9.31 10.49 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.825 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 6.9 ttmt -99.74 -45.46 5.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 26.9 m -64.71 -8.57 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 74.7 t -103.9 -46.29 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -104.56 32.77 3.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.606 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.865 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.6 OUTLIER -84.3 106.39 15.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.03 -28.1 35.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.27 151.19 38.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.34 -147.41 0.37 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 110.972 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.414 ' C ' ' N ' ' A' ' 80' ' ' LYS . . . 140.67 -171.35 24.08 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.39 -25.44 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 0.746 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 78' ' ' GLY . 5.4 ptmt -157.29 161.44 29.32 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -81.01 -178.3 4.29 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.321 3.347 . . . . 0.0 109.616 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.865 HG21 ' HB2' ' A' ' 74' ' ' ASP . 41.0 p -130.34 -165.03 1.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m -78.03 -2.84 39.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 108.334 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 84' ' ' ILE . 5.7 mm -111.74 -43.99 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.5 -60.85 2.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.018 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 8.8 t -60.57 -57.99 10.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 108.296 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.405 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 7.8 m170 -46.84 -38.92 11.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.622 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 84' ' ' ILE . 7.6 mmtm -59.7 -48.15 82.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -56.08 -40.34 73.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -63.71 -42.77 97.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.7 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -95.14 22.37 6.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.416 ' O ' ' CB ' ' A' ' 93' ' ' ASP . . . -86.16 61.55 4.46 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 92' ' ' GLY . 0.9 OUTLIER 160.93 -56.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 0.794 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 96' ' ' GLU . 56.3 t0 -78.04 122.81 26.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -71.83 -37.71 70.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.457 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 19.3 mt-10 -67.21 -25.72 66.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.7 HD12 ' HB2' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -78.8 -20.9 48.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -85.86 21.84 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -140.81 45.84 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 107' ' ' SER . 7.3 ptmt -167.0 -43.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.659 ' O ' HMC1 ' A' ' 116' ' ' HEC . 13.1 mt -93.44 -32.54 14.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.482 ' HA ' HMC2 ' A' ' 116' ' ' HEC . 18.5 p -123.01 4.61 9.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -60.43 108.43 1.81 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.774 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 1.2 m -51.36 -51.38 55.06 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -124.14 136.84 54.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.72 43.74 22.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.12 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 72.2 p -117.71 177.91 4.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.73 -4.1 32.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.421 ' O ' ' HD3' ' A' ' 111' ' ' PRO . 94.7 m -104.95 -46.59 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 108.302 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -117.58 83.37 17.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.589 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 44.1 Cg_endo -91.62 71.8 0.85 Allowed 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.294 3.329 . . . . 0.0 109.572 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.008 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.838 HMC3 ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 0.848 HMC3 ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 1.018 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.818 HMC1 HBC3 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.426 ' O ' ' CB ' ' A' ' 2' ' ' ASP . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 1' ' ' VAL . 2.4 t0 161.54 77.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.725 HG22 ' HB3' ' A' ' 26' ' ' HIS . 0.4 OUTLIER -53.88 109.83 1.74 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.253 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -48.93 163.04 0.33 Allowed 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.308 3.339 . . . . 0.0 109.606 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -86.05 150.53 24.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 5' ' ' ALA . 0.7 OUTLIER -54.3 -171.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.19 41.97 98.13 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.69 110.9 23.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 0.761 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -85.7 138.25 32.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.611 HD11 ' HB2' ' A' ' 24' ' ' PHE . 13.0 mt -112.98 130.9 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.44 ' HB2' HG23 ' A' ' 21' ' ' THR . 3.4 t0 -161.49 92.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -115.11 -27.76 7.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 75.6 mt -93.13 80.94 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.4 174.77 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.35 -43.84 0.02 OUTLIER Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.558 1.161 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.97 94.71 1.39 Allowed Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 48.74 28.8 1.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 110.278 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.22 45.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.17 131.06 53.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.481 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 81.0 mt -77.02 134.2 38.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.44 HG23 ' HB2' ' A' ' 11' ' ' ASP . 2.6 m -118.05 110.03 17.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 109' ' ' CYS . 54.1 t -89.82 145.8 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.0 t -105.74 127.49 60.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.611 ' HB2' HD11 ' A' ' 10' ' ' ILE . 17.1 t80 -122.14 168.02 12.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.473 ' CG ' ' HG ' ' A' ' 27' ' ' SER . 15.7 t30 -158.0 143.14 16.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.725 ' HB3' HG22 ' A' ' 3' ' ' VAL . 12.8 m80 -87.45 -27.19 22.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.597 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.473 ' HG ' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -75.14 -0.85 20.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.956 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.45 ' OG1' ' ND2' ' A' ' 25' ' ' ASN . 39.6 m -93.0 -39.45 11.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.461 ' CE1' ' CE1' ' A' ' 24' ' ' PHE . 37.2 m80 -104.63 24.85 11.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.585 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.77 -19.7 18.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.49 -0.75 57.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.484 HG12 ' CB ' ' A' ' 36' ' ' ASP . 35.9 t -109.73 133.69 54.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.86 ' O ' HMC3 ' A' ' 113' ' ' HEC . 8.3 mmmt -54.46 160.04 1.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.477 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 8.3 m -75.07 -42.77 56.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 108.291 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -65.59 -10.08 32.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.272 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.484 ' CB ' HG12 ' A' ' 32' ' ' VAL . 2.5 t70 -64.75 -18.36 64.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 87.0 m -131.77 -49.11 0.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 108.282 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -76.45 77.67 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.585 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.58 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 5.0 p80 -88.62 61.64 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.594 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.619 ' OE1' HBC2 ' A' ' 114' ' ' HEC . 67.6 mm-40 -134.91 149.86 71.67 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 45' ' ' GLN . 30.4 Cg_endo -56.98 152.06 45.97 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.307 3.338 . . . . 0.0 109.664 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 41' ' ' PRO . . . -47.06 176.69 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.148 . . . . 0.0 110.991 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 t70 69.93 -65.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 42' ' ' GLY . 21.2 mttt -110.32 23.83 13.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 40' ' ' GLN . 11.8 tt0 -63.43 -23.81 67.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -112.82 66.77 0.65 Allowed 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.802 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.04 179.81 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.103 . . . . 0.0 109.356 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.788 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -69.56 149.89 48.91 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.7 m -80.95 -32.09 34.63 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.4 p -88.75 19.49 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.427 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' A' ' 54' ' ' CYS . 23.7 m -67.43 156.39 36.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.412 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.69 153.5 10.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.53 20.06 29.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.135 . . . . 0.0 111.032 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 51' ' ' THR . 21.1 m -131.98 -132.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.413 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 51.8 m-70 -93.09 48.14 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.577 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -87.18 64.86 8.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.2 mm -131.57 109.1 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.8 mt -102.69 26.61 7.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.57 78.41 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.602 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -48.72 142.7 5.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 60' ' ' LYS . . . 77.99 42.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -102.36 177.37 4.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -124.34 84.92 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.7 160.83 2.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.021 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 65' ' ' VAL . 6.0 p -86.49 13.52 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.413 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 30.4 m120 -108.49 10.17 27.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 p -75.38 134.45 40.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.986 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.524 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 31.6 t-105 -94.17 14.07 21.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 108.022 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.653 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 5.7 t80 -119.96 -9.27 9.68 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.825 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 7.9 ttmm -99.96 -44.11 6.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 29.9 m -64.25 -8.71 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 80.4 t -102.49 -53.28 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -93.88 25.04 3.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.615 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.751 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.4 OUTLIER -77.73 125.63 29.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.75 -3.86 21.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -86.14 152.81 22.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -124.0 166.17 16.64 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.584 1.178 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.91 -82.89 0.13 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.91 -47.42 37.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.43 ' HZ2' ' C3A' ' A' ' 114' ' ' HEC . 2.4 ptmm? -162.41 159.51 20.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.237 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -74.88 -172.7 1.31 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.287 3.325 . . . . 0.0 109.619 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.751 HG21 ' CB ' ' A' ' 74' ' ' ASP . 31.8 p -137.23 -165.69 1.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.414 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.9 m -77.25 -3.17 38.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 108.273 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 88' ' ' LYS . 6.2 mm -112.24 -44.33 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.5 -61.57 2.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.95 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 6.9 t -59.98 -57.27 13.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 108.269 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.432 ' CE1' HBC1 ' A' ' 116' ' ' HEC . 10.0 m170 -47.59 -37.35 12.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.57 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 84' ' ' ILE . 8.5 mtpt -61.74 -48.38 80.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -56.99 -40.25 76.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -59.96 -40.91 90.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -93.36 23.26 4.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.177 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.401 ' C ' ' OD1' ' A' ' 93' ' ' ASP . . . -85.59 58.9 4.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' A' ' 92' ' ' GLY . 2.3 p-10 167.55 -58.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.426 ' HB3' ' CB ' ' A' ' 97' ' ' LEU . 58.4 t0 -82.3 125.04 30.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -73.86 -40.63 63.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.429 ' O ' ' NZ ' ' A' ' 100' ' ' LYS . 11.7 tt0 -65.92 -27.38 68.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.002 HD22 ' HD2' ' A' ' 100' ' ' LYS . 0.8 OUTLIER -74.69 -19.04 60.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -85.87 22.48 1.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -137.35 47.22 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 1.002 ' HD2' HD22 ' A' ' 97' ' ' LEU . 3.4 ptpp? -164.34 -47.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.594 HD11 ' CGD' ' A' ' 115' ' ' HEC . 11.3 mt -90.15 -28.98 18.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.0 p -122.76 4.19 9.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.39 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.1 117.01 10.18 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.748 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 0.8 OUTLIER -58.83 -57.19 14.13 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -121.87 138.48 54.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.15 42.15 29.78 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.1 p -117.8 -179.73 3.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.76 . . . . 0.0 110.038 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.42 -3.96 33.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.786 ' O ' HG22 ' A' ' 22' ' ' VAL . 77.4 m -104.67 -47.34 4.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 108.284 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -118.01 83.1 18.49 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 109.608 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 44.0 Cg_endo -92.05 71.91 0.72 Allowed 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.282 3.321 . . . . 0.0 109.616 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.86 HMC3 ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 0.788 HMC3 ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 0.997 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.805 HMD1 HBD1 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.27 118.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.404 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 0.7 OUTLIER -54.6 118.95 18.38 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 3' ' ' VAL . 42.7 Cg_exo -41.39 163.78 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.259 3.306 . . . . 0.0 109.611 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.12 150.34 24.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.09 -166.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.57 35.93 67.92 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.42 99.94 11.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.47 ' HD3' ' CG2' ' A' ' 21' ' ' THR . 0.0 OUTLIER -72.71 145.61 47.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 109.329 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.537 HD11 ' HB2' ' A' ' 24' ' ' PHE . 12.4 mt -125.58 125.59 68.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -165.49 92.89 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.567 ' HZ ' ' H2D' ' A' ' 113' ' ' HEC . 27.8 m-85 -115.27 -24.38 8.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.456 ' CG2' ' HD2' ' A' ' 60' ' ' LYS . 72.3 mt -98.22 94.4 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.76 174.38 1.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -146.0 -169.99 14.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.43 -78.41 0.09 OUTLIER Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -133.35 26.46 4.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 0.764 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -153.1 -161.06 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -178.94 131.58 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.908 HD12 ' O1A' ' A' ' 116' ' ' HEC . 35.1 mt -74.65 88.91 2.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.47 ' CG2' ' HD3' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -80.94 112.41 18.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 110.367 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 109' ' ' CYS . 54.8 t -101.37 144.52 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.0 t -105.05 137.63 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.537 ' HB2' HD11 ' A' ' 10' ' ' ILE . 51.1 t80 -132.8 150.41 52.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 37.0 t30 -137.03 144.84 43.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.451 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 16.4 m80 -87.24 -25.34 24.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.609 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.449 ' H ' ' HG ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -74.67 -1.91 23.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.018 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.475 HG21 HBA1 ' A' ' 115' ' ' HEC . 40.6 m -93.59 -40.05 10.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -103.18 23.99 11.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.63 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -57.1 -18.28 14.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -90.99 1.65 56.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.467 HG13 ' OD2' ' A' ' 36' ' ' ASP . 54.0 t -112.1 130.54 65.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.822 ' O ' HMC3 ' A' ' 113' ' ' HEC . 1.9 mptm? -52.25 155.96 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.488 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 9.5 m -71.33 -46.5 60.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 108.306 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.5 p30 -63.17 -10.24 14.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.467 ' OD2' HG13 ' A' ' 32' ' ' VAL . 4.9 t0 -64.23 -18.03 64.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.8 m -131.9 -49.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.308 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.74 82.87 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 109.622 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.457 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 4.4 p80 -95.75 42.32 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.585 1.178 . . . . 0.0 109.662 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.661 ' HG2' HMC2 ' A' ' 114' ' ' HEC . 1.2 mp0 -106.38 149.54 38.39 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 42' ' ' GLY . 10.8 Cg_endo -53.35 151.72 22.23 Favored 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.268 3.312 . . . . 0.0 109.565 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 41' ' ' PRO . . . -48.37 178.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.562 1.164 . . . . 0.0 110.956 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 73.3 -59.49 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.766 . . . . 0.0 109.353 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -113.45 26.5 10.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -40.23 -39.02 0.85 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -105.23 87.46 2.63 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.84 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.36 -176.78 3.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.842 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -74.45 145.64 34.68 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.554 1.159 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.8 m -80.55 -32.63 36.65 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 36.3 p -88.78 19.26 4.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 24.1 m -67.09 155.86 37.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.403 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 11.2 t0 -56.1 153.65 8.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.63 20.32 31.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.142 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 16.5 m -133.08 -133.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.422 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 49.0 m-70 -91.56 48.08 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.59 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -88.99 65.97 7.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.4 mm -132.92 108.89 13.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 67.5 mt -99.71 74.45 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -162.58 120.46 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.456 ' HD2' ' CG2' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -86.51 46.53 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -179.02 57.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -116.96 177.69 4.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.85 85.25 2.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.41 163.21 2.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.996 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.3 p -86.16 12.4 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 28.8 m120 -106.32 11.41 31.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.7 p -77.41 133.63 38.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.007 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.526 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 30.8 t-105 -93.4 13.99 19.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 108.018 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.615 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 15.6 t80 -121.36 -2.01 9.59 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.848 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 4.3 ttmm -105.86 -41.13 5.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.6 m -68.83 -5.29 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.82 -49.18 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -102.28 31.04 4.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.616 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.783 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.5 OUTLIER -81.46 100.5 9.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.53 -25.11 49.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -77.95 148.0 34.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.72 -148.31 0.07 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.421 ' C ' ' N ' ' A' ' 80' ' ' LYS . . . 140.8 -174.14 22.81 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.61 -27.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.421 ' N ' ' C ' ' A' ' 78' ' ' GLY . 6.2 ptmt -156.95 160.47 30.67 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -77.02 -177.19 3.64 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.304 3.336 . . . . 0.0 109.584 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.783 HG21 ' HB2' ' A' ' 74' ' ' ASP . 37.7 p -132.03 -164.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.357 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.8 m -77.62 -2.82 37.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 108.301 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 88' ' ' LYS . 6.0 mm -111.88 -44.93 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.62 -60.3 3.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.997 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 7.3 t -61.45 -57.37 12.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 108.343 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.481 ' CE1' HBC1 ' A' ' 116' ' ' HEC . 9.8 m170 -47.49 -33.27 6.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.591 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 84' ' ' ILE . 5.0 mtpt -67.51 -48.78 66.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -58.05 -38.46 76.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.453 ' HE2' HMD3 ' A' ' 115' ' ' HEC . 5.2 mmtm -59.75 -42.84 94.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.788 ' HB1' ' HB2' ' A' ' 98' ' ' LYS . . . -64.18 -77.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.95 -120.89 6.4 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.86 -39.14 36.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 0.769 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -54.58 102.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -69.6 -32.4 71.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -66.29 -34.27 77.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.719 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -76.62 -26.74 55.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.788 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 5.6 ttmm -84.72 22.83 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -136.91 42.91 2.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt -162.43 -50.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.234 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.602 ' O ' HMC1 ' A' ' 116' ' ' HEC . 11.4 mt -83.44 -27.92 29.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.477 ' HA ' HMC2 ' A' ' 116' ' ' HEC . 28.4 p -120.75 -2.25 9.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.421 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -49.69 129.12 25.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.444 1.09 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.765 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 1.2 m -78.09 -50.2 12.49 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -121.54 127.04 50.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.93 44.61 13.86 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.1 p -110.49 174.57 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.776 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.14 -9.29 45.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.745 ' O ' HG22 ' A' ' 22' ' ' VAL . 91.1 m -101.89 -45.32 5.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 108.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -117.22 84.08 16.77 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.602 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 44.7 Cg_endo -91.72 70.39 0.91 Allowed 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.306 3.337 . . . . 0.0 109.635 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.923 HMD1 HBD1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 0.842 HMC3 ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 1.019 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.908 ' O1A' HD12 ' A' ' 20' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.8 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' A' ' 1' ' ' VAL . 8.3 m-20 59.65 118.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.122 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.456 HG22 ' HB3' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -54.36 121.62 32.9 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -40.73 163.22 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.284 3.323 . . . . 0.0 109.651 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.85 151.33 23.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.9 -167.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.37 29.51 71.76 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.425 ' O ' ' HA ' ' A' ' 23' ' ' VAL . . . -86.23 135.85 33.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.792 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -117.92 135.48 54.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.593 HG22 ' O1D' ' A' ' 116' ' ' HEC . 6.8 mt -114.39 125.31 71.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.505 ' HB2' HG23 ' A' ' 21' ' ' THR . 4.7 t70 -158.22 90.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -115.53 -25.29 7.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.9 mt -98.44 85.75 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.75 176.98 1.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -140.45 -62.12 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 147.89 -80.4 0.21 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -60.79 -26.11 67.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 0.785 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -158.75 -160.81 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.403 ' O ' ' OD1' ' A' ' 19' ' ' ASN . 29.8 p-10 -173.84 123.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.477 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 24.2 mt -75.51 132.55 40.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.505 HG23 ' HB2' ' A' ' 11' ' ' ASP . 0.6 OUTLIER -123.02 114.36 20.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.419 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 109' ' ' CYS . 83.0 t -97.08 127.15 49.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 50.6 t -92.58 139.33 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.435 ' CE1' ' CE1' ' A' ' 29' ' ' HIS . 44.8 t80 -131.82 145.62 51.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.99 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.17 124.19 34.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.456 ' HB3' HG22 ' A' ' 3' ' ' VAL . 9.5 m80 -74.77 -18.3 60.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.8 p -88.2 15.79 7.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.041 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.539 HG21 HBA1 ' A' ' 115' ' ' HEC . 19.8 m -113.17 -33.31 6.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.421 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.435 ' CE1' ' CE1' ' A' ' 24' ' ' PHE . 67.5 m80 -103.26 23.07 13.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.629 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -56.69 -18.35 12.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.74 0.64 55.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.57 HG12 ' CB ' ' A' ' 36' ' ' ASP . 21.8 t -117.45 128.6 74.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.828 ' O ' HMC3 ' A' ' 113' ' ' HEC . 1.5 mtmm -51.56 159.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.49 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 9.8 m -73.6 -40.95 63.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 108.333 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -67.61 -8.69 36.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.57 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.7 t70 -65.67 -17.8 64.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.7 m -131.24 -48.68 1.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 108.345 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -76.38 88.13 3.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.605 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.57 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 4.0 p80 -101.29 64.09 1.01 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.588 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.655 ' HG3' HMC2 ' A' ' 114' ' ' HEC . 97.1 mm-40 -140.34 151.72 64.97 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.472 ' C ' ' O ' ' A' ' 40' ' ' GLN . 52.0 Cg_exo -27.92 140.21 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.327 3.351 . . . . 0.0 109.568 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -51.17 -51.95 33.66 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.09 -65.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -101.15 37.55 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' PRO . 18.4 tt0 -38.13 -45.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -101.98 103.0 13.61 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.828 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.91 -175.47 3.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.708 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -80.57 136.59 16.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.1 m -75.35 -32.97 61.05 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 p -89.83 20.43 4.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 54' ' ' CYS . 89.1 m -70.1 156.04 39.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -55.14 151.69 8.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.38 28.38 55.13 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.445 1.091 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 51' ' ' THR . 30.1 m -140.36 -131.76 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.409 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 56.0 m-70 -94.43 49.8 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -92.1 67.76 5.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.8 mm -133.89 110.64 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.0 mt -101.85 66.06 1.03 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -150.73 99.37 2.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.689 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -69.96 59.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 60' ' ' LYS . . . 162.09 60.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -122.51 179.03 4.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.26 86.53 2.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.35 157.9 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 65' ' ' VAL . 3.7 p -81.99 4.78 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 28.3 m120 -98.57 11.47 38.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 p -76.81 133.26 39.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.523 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 32.1 t-105 -94.52 14.35 21.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 107.998 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.617 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 15.2 t80 -122.31 -1.77 9.13 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.853 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 2.9 ttmm -106.85 -42.41 4.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 30.2 m -64.9 -9.37 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.5 t -102.03 -52.49 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -94.46 25.12 4.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.589 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.747 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.4 OUTLIER -77.46 99.34 5.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.7 -7.62 53.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -132.76 140.27 47.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -173.96 144.22 7.48 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.563 1.165 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 79' ' ' ALA . . . -112.96 -70.13 0.55 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 78' ' ' GLY . . . -39.84 -39.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.463 ' HZ2' ' CG ' ' A' ' 39' ' ' HIS . 13.2 ptmt -163.64 157.88 16.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -78.71 -170.75 1.06 Allowed 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.366 3.377 . . . . 0.0 109.532 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.747 HG21 ' CB ' ' A' ' 74' ' ' ASP . 30.2 p -137.46 -166.42 1.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.9 m -77.5 -3.79 42.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 108.295 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 88' ' ' LYS . 6.7 mm -111.71 -43.85 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.49 -60.7 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 10.9 t -61.33 -56.8 16.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 108.275 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.427 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 10.0 m170 -47.34 -36.95 10.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.628 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 84' ' ' ILE . 6.4 mttm -61.7 -47.27 86.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -57.53 -39.21 76.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -62.68 -40.08 95.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.599 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -96.37 23.88 6.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 93' ' ' ASP . . . -86.25 61.07 4.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.098 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 92' ' ' GLY . 0.9 OUTLIER 162.47 -54.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.78 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.425 ' HB3' ' CB ' ' A' ' 97' ' ' LEU . 60.7 t0 -81.7 123.51 28.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -73.0 -39.76 65.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.401 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 2.8 tp10 -66.36 -27.53 67.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.832 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -75.7 -20.07 58.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -86.31 22.62 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.71 48.31 1.92 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.699 ' HD2' HD22 ' A' ' 97' ' ' LEU . 10.3 ptpt -167.38 -45.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.617 ' O ' HMC1 ' A' ' 116' ' ' HEC . 13.7 mt -91.21 -32.57 15.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.6 p -122.31 14.2 10.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.28 119.39 7.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.147 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.752 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 1.0 OUTLIER -61.26 -53.15 60.49 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.35 137.83 54.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.13 41.06 40.58 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 95.7 p -113.37 175.51 5.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.988 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.29 -6.69 41.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.501 ' O ' HG22 ' A' ' 22' ' ' VAL . 95.8 m -102.12 -46.84 4.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 108.327 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -117.47 83.54 17.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.597 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 46.1 Cg_endo -91.42 71.87 0.91 Allowed 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.308 3.339 . . . . 0.0 109.625 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.0 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.828 HMC3 ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 0.737 HBB3 HMB1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 1.029 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.836 HMC1 HBC3 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.422 ' O ' ' CB ' ' A' ' 2' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 1' ' ' VAL . 14.6 t0 76.8 115.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.44 HG22 ' HB3' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -54.46 120.62 27.7 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -41.42 164.04 0.03 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.33 3.353 . . . . 0.0 109.584 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.67 151.52 23.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.413 ' OD2' ' N ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -55.69 -167.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' N ' ' OD2' ' A' ' 6' ' ' ASP . . . 69.58 32.1 71.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' A' ' 23' ' ' VAL . . . -88.87 135.2 33.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 109.256 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -113.62 133.56 55.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.497 HG22 ' O2D' ' A' ' 116' ' ' HEC . 11.2 mt -111.94 124.42 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.612 ' HB2' HG23 ' A' ' 21' ' ' THR . 6.9 t70 -158.78 92.38 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.174 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -115.22 -27.68 7.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 76.5 mt -94.85 101.39 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.83 175.64 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -140.95 -163.74 9.64 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.76 -64.25 0.69 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -78.91 -32.51 45.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -163.49 -157.53 0.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -156.42 130.99 8.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.8 mt -74.83 133.88 41.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.612 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.5 m -120.71 117.6 27.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.409 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 109' ' ' CYS . 73.8 t -99.76 136.51 30.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 88.9 t -100.18 135.05 37.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.497 ' HB2' HD11 ' A' ' 10' ' ' ILE . 58.1 t80 -127.12 145.98 50.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -128.75 125.48 37.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.44 ' HB3' HG22 ' A' ' 3' ' ' VAL . 6.0 m80 -74.72 -20.12 59.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.583 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.1 p -88.09 16.03 6.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 110.036 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.517 HG21 HBA1 ' A' ' 115' ' ' HEC . 52.6 m -110.66 -35.12 6.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.414 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -103.55 23.84 12.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.586 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.2 -19.82 15.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -84.66 -2.57 57.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.612 HG12 ' CB ' ' A' ' 36' ' ' ASP . 7.6 t -114.41 130.8 68.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.77 ' O ' HMC3 ' A' ' 113' ' ' HEC . 0.1 OUTLIER -53.61 159.39 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.483 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 8.4 m -72.83 -41.56 64.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 108.28 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -66.34 -9.72 35.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.612 ' CB ' HG12 ' A' ' 32' ' ' VAL . 3.5 t70 -65.09 -18.45 65.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 96.2 m -130.25 -49.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 108.327 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -76.45 74.78 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.599 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.583 ' CE1' ' HB2' ' A' ' 40' ' ' GLN . 8.2 p80 -84.34 -57.36 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.586 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 1.9 mp0 -98.83 111.58 60.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.408 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 37.8 Cg_endo -88.0 103.95 0.5 Allowed 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.276 3.318 . . . . 0.0 109.558 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.584 ' H ' ' HB3' ' A' ' 47' ' ' ALA . . . -53.51 -57.51 15.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.73 -37.57 3.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' TYR . 9.1 mttt -141.44 171.6 13.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.08 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' LYS . 16.0 tp60 -37.9 -31.82 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.57 ' CZ ' HMB3 ' A' ' 113' ' ' HEC . 20.6 m-85 -119.28 124.49 46.82 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.785 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.584 ' HB3' ' H ' ' A' ' 42' ' ' GLY . . . -150.56 -176.88 5.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.766 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -76.96 145.54 31.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 25.6 m -80.13 -35.15 37.12 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 19.5 p -89.41 21.67 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 25.8 m -66.73 156.37 35.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.402 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.87 152.82 6.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.53 20.59 31.4 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 51' ' ' THR . 17.1 m -134.14 -137.02 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.439 ' O ' ' HA ' ' A' ' 50' ' ' THR . 51.8 m-70 -86.47 44.88 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.601 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -83.91 68.71 10.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.7 mm -133.76 109.26 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.5 mt -103.26 25.56 9.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.59 77.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.557 ' HD2' ' CE2' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -43.02 153.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 62.07 54.43 2.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -110.57 175.73 5.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.547 1.155 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -122.56 83.34 2.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.07 158.41 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.2 p -83.59 7.58 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.419 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 31.9 m120 -101.42 8.41 42.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 p -74.97 136.68 41.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.552 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 30.0 t-105 -97.37 17.41 17.51 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.653 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 7.9 t80 -122.81 -7.18 8.49 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.808 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.568 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 5.3 ttmt -101.71 -42.86 6.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.5 m -64.17 -7.92 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.9 t -104.99 -53.31 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -94.56 25.96 3.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.596 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.771 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.7 OUTLIER -75.18 103.45 5.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.68 -4.26 59.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.15 147.58 24.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.48 -160.55 0.65 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.431 1.082 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.402 ' C ' ' N ' ' A' ' 80' ' ' LYS . . . 150.72 -172.76 30.4 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.96 -26.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 78' ' ' GLY . 6.8 ptmt -156.59 159.96 31.03 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -73.67 -171.71 0.91 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.289 3.326 . . . . 0.0 109.601 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.771 HG21 ' CB ' ' A' ' 74' ' ' ASP . 24.9 p -138.0 -165.69 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 110.376 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.8 m -77.07 -3.38 38.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 108.255 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.474 HG22 ' HD2' ' A' ' 88' ' ' LYS . 8.5 mm -112.07 -44.54 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.32 -61.26 2.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 6.6 t -60.4 -57.74 11.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 108.307 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.445 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 10.6 m170 -47.02 -37.56 9.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.599 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.474 ' HD2' HG22 ' A' ' 84' ' ' ILE . 12.1 mttt -60.98 -47.37 86.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -55.98 -40.86 73.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.577 ' HE2' HMD3 ' A' ' 115' ' ' HEC . 19.4 mmtm -62.71 -41.95 99.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.528 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -92.81 22.49 4.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 93' ' ' ASP . . . -86.95 60.92 4.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.456 1.097 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.442 ' CB ' ' O ' ' A' ' 92' ' ' GLY . 0.9 OUTLIER 160.62 -57.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 0.722 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 96' ' ' GLU . 55.1 t0 -78.12 125.08 28.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -73.53 -39.72 64.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.442 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 6.4 tp10 -65.38 -26.14 67.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.656 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -76.96 -20.99 55.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -85.82 24.49 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -143.52 48.06 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.568 ' HD2' HD22 ' A' ' 97' ' ' LEU . 13.1 ptpt -167.5 -46.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.67 ' O ' HMC1 ' A' ' 116' ' ' HEC . 10.8 mt -91.2 -32.17 15.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.8 p -121.29 6.91 10.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.443 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -63.48 115.54 8.11 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.756 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 0.9 OUTLIER -57.78 -54.97 40.91 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -123.71 138.54 54.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.22 42.2 29.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.4 p -117.66 -179.68 3.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.52 -4.61 37.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.688 ' O ' HG22 ' A' ' 22' ' ' VAL . 93.5 m -104.07 -46.99 4.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 108.278 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -118.41 83.59 21.36 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.593 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 45.6 Cg_endo -92.73 73.23 0.48 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.28 3.32 . . . . 0.0 109.567 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.77 HMC3 ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 0.766 HMC3 ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 1.038 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.831 HMC1 HBC3 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 1' ' ' VAL . 2.2 p . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 57.7 109.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -54.57 121.03 30.67 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 3' ' ' VAL . 37.4 Cg_exo -40.43 163.18 0.02 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.335 3.357 . . . . 0.0 109.581 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -86.45 153.27 22.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.265 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' ALA . 1.2 p-10 -55.49 -167.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.89 34.73 65.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.426 ' O ' ' HA ' ' A' ' 23' ' ' VAL . . . -91.62 135.54 33.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -115.25 136.38 53.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.716 HG22 ' O1D' ' A' ' 116' ' ' HEC . 9.1 mt -115.34 124.65 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.44 ' HB2' HG23 ' A' ' 21' ' ' THR . 7.1 t70 -160.48 92.49 0.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -116.38 -27.6 6.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 71.3 mt -95.34 101.99 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.53 90.3 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.247 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.05 170.46 42.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 17' ' ' GLU . . . 87.5 78.49 1.25 Allowed Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER 72.61 -52.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.789 . . . . 0.0 110.274 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -159.2 -51.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 171.26 107.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.618 HD12 ' O1A' ' A' ' 116' ' ' HEC . 36.3 mt -74.7 108.09 7.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.44 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.4 m -97.82 111.61 23.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 110.428 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 109' ' ' CYS . 66.0 t -96.9 131.03 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 64.8 t -93.98 141.19 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.405 ' C ' ' ND2' ' A' ' 25' ' ' ASN . 51.0 t80 -131.92 159.57 38.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.405 ' ND2' ' C ' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -142.88 125.8 16.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -75.47 -16.34 60.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.6 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.5 p -90.37 15.42 10.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.514 HG21 HBA1 ' A' ' 115' ' ' HEC . 90.2 m -112.49 -28.77 7.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -111.15 22.47 15.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 109.545 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -56.66 -19.05 14.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.29 -2.57 58.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.586 HG12 ' CB ' ' A' ' 36' ' ' ASP . 13.0 t -112.84 131.38 64.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.77 ' O ' HMC3 ' A' ' 113' ' ' HEC . 13.7 mttm -52.81 157.74 1.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.47 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 10.7 m -72.59 -40.85 66.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 108.278 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.6 p30 -67.71 -8.82 38.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.586 ' CB ' HG12 ' A' ' 32' ' ' VAL . 3.9 t70 -65.27 -18.61 65.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.6 m -130.78 -48.13 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 108.28 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -77.84 79.52 4.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.599 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.464 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 4.2 p80 -92.3 42.64 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.584 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.697 ' HG2' HMC2 ' A' ' 114' ' ' HEC . 1.3 mp0 -107.94 151.41 41.23 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -49.3 141.76 23.67 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.308 3.339 . . . . 0.0 109.585 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.449 ' C ' ' N ' ' A' ' 44' ' ' LYS . . . -46.24 -45.19 15.63 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.566 1.166 . . . . 0.0 111.051 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' GLY . 14.2 t70 -40.35 -29.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.743 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.449 ' N ' ' C ' ' A' ' 42' ' ' GLY . 38.2 pttt -154.27 50.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -40.42 -51.93 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -98.0 99.66 10.95 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.824 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.1 -176.86 4.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.931 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -75.37 143.46 30.57 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.5 m -80.95 -34.64 33.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 72.2 p -88.91 19.1 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 19.9 m -65.31 156.05 33.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.402 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 4.6 t70 -55.77 153.24 8.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.68 15.68 19.79 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.549 1.156 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 13.6 m -128.84 -135.93 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' A' ' 50' ' ' THR . 44.4 m-70 -88.46 44.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.599 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -84.39 65.84 9.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.8 mm -133.56 108.64 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 47.5 mt -103.0 28.6 6.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.13 79.2 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.609 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -49.79 143.32 7.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 60' ' ' LYS . . . 77.96 44.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -108.28 176.47 5.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -122.23 84.66 2.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.1 t -175.18 153.77 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 65' ' ' VAL . 4.4 p -79.22 1.26 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 1.6 m-20 -96.02 13.05 28.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.2 p -78.66 133.5 37.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.511 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 33.2 t-105 -93.21 13.03 22.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 108.005 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.644 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 9.7 t80 -119.06 -7.38 10.37 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.821 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 9.8 tttm -99.77 -44.97 5.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.0 m -64.79 -9.46 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 74.3 t -101.14 -47.85 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -103.6 32.87 3.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.581 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.817 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.6 OUTLIER -84.49 109.0 17.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.16 -22.2 28.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -76.98 154.04 33.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -129.59 158.72 22.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.12 -81.03 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.13 -48.32 24.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.8 ptmt -156.08 160.62 30.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -80.83 171.53 14.24 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.327 3.351 . . . . 0.0 109.58 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.817 HG21 ' HB2' ' A' ' 74' ' ' ASP . 43.2 p -123.43 -162.12 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.405 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.2 m -78.82 0.42 27.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 108.293 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 88' ' ' LYS . 7.7 mm -112.94 -46.57 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 t -52.58 -59.25 4.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.028 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.8 t -62.0 -59.78 4.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 108.317 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.486 ' CE1' HBC1 ' A' ' 116' ' ' HEC . 11.3 m170 -46.75 -31.41 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.632 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 84' ' ' ILE . 0.7 OUTLIER -69.94 -50.75 38.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.17 -38.34 70.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.55 ' HE2' HMD3 ' A' ' 115' ' ' HEC . 7.0 mmtm -58.54 -41.88 86.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.642 ' HB1' ' HB2' ' A' ' 98' ' ' LYS . . . -81.67 -79.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.522 ' O ' ' CB ' ' A' ' 93' ' ' ASP . . . 43.99 95.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.559 1.162 . . . . 0.0 111.005 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER 83.98 -49.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.477 ' N ' ' CG ' ' A' ' 93' ' ' ASP . 35.8 t0 -56.24 95.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -35.24 76.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -67.18 -29.73 69.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.919 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -96.22 -20.0 18.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.642 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 1.4 tmtp? -85.98 23.27 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -138.24 48.21 1.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.895 ' HD2' HD22 ' A' ' 97' ' ' LEU . 12.0 ptpt -165.22 -47.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.68 ' O ' HMC1 ' A' ' 116' ' ' HEC . 14.0 mt -87.52 -29.38 21.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.487 ' HA ' HMC2 ' A' ' 116' ' ' HEC . 32.8 p -119.52 -2.52 10.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -50.97 122.8 14.93 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.758 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 1.2 m -69.59 -51.15 37.83 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.4 130.89 53.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.61 44.3 16.39 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.3 p -113.93 177.32 4.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 109.979 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.78 -7.01 41.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.649 ' O ' HG22 ' A' ' 22' ' ' VAL . 91.5 m -103.16 -46.39 4.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 108.297 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -117.08 83.95 15.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.567 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 44.5 Cg_endo -91.29 72.78 0.87 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.323 3.349 . . . . 0.0 109.57 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.882 HBD2 HMD1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 0.931 HMC3 ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 1.03 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.802 HMD1 HBD1 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.538 ' O ' HG23 ' A' ' 1' ' ' VAL . 1.5 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 1' ' ' VAL . 0.9 OUTLIER 81.46 87.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.406 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 0.4 OUTLIER -54.58 120.08 25.03 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 3' ' ' VAL . 52.0 Cg_exo -41.86 165.19 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.355 3.37 . . . . 0.0 109.552 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.94 150.08 27.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -165.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.02 45.82 92.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.99 138.72 36.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' HG2' HG22 ' A' ' 23' ' ' VAL . 24.5 mttm -112.71 137.04 51.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.602 HD11 ' HB2' ' A' ' 24' ' ' PHE . 9.1 mt -114.85 125.75 72.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.575 ' HB2' HG23 ' A' ' 21' ' ' THR . 11.0 t0 -161.33 96.19 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -117.61 -29.93 5.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.481 ' O ' HG22 ' A' ' 13' ' ' ILE . 91.4 mt -86.58 78.28 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.43 172.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 172.94 57.93 0.05 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 57.55 -146.36 37.82 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -90.53 27.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.03 49.96 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.2 131.93 46.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 85.5 mt -77.25 134.66 38.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.575 HG23 ' HB2' ' A' ' 11' ' ' ASP . 3.4 m -119.2 112.82 19.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.391 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.595 HG22 ' O ' ' A' ' 109' ' ' CYS . 77.2 t -92.79 138.79 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.449 HG22 ' HG2' ' A' ' 9' ' ' LYS . 95.2 t -103.2 139.32 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.602 ' HB2' HD11 ' A' ' 10' ' ' ILE . 51.5 t80 -123.82 175.9 6.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.133 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -160.75 121.73 2.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -74.97 -19.49 60.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.583 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.9 p -87.78 15.74 6.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.033 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.547 HG21 HBA1 ' A' ' 115' ' ' HEC . 94.4 m -112.87 -33.74 5.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.376 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -106.88 24.99 11.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.596 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -19.52 17.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -87.06 -1.28 57.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.57 HG12 ' CB ' ' A' ' 36' ' ' ASP . 18.5 t -111.61 128.86 67.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.743 ' O ' HMC3 ' A' ' 113' ' ' HEC . 6.7 mmtt -51.32 156.39 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.466 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 12.8 m -71.99 -38.99 69.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 108.346 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -70.45 -6.93 39.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.57 ' CB ' HG12 ' A' ' 32' ' ' VAL . 2.1 t70 -67.22 -18.42 65.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 99.9 m -130.32 -47.53 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 108.308 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -78.45 81.34 4.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.594 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.486 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 2.7 p80 -96.03 45.72 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.623 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.706 ' HG2' HMC2 ' A' ' 114' ' ' HEC . 1.3 mp0 -106.81 135.52 19.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -85.74 148.52 9.71 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.301 3.334 . . . . 0.0 109.591 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.83 166.63 26.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.0 -16.72 19.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.64 36.21 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -41.48 -29.63 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.264 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -106.32 96.03 6.18 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.838 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.77 -177.02 4.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.883 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -74.63 145.54 34.27 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.0 m -81.37 -32.63 32.79 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.8 p -89.04 19.93 3.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.412 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 19.7 m -67.5 156.15 37.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 19.0 p-10 -56.83 153.66 10.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.09 18.05 25.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 16.4 m -130.4 -131.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -93.74 47.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.575 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -85.85 64.55 8.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.494 ' CG2' ' OD1' ' A' ' 59' ' ' ASP . 3.2 mm -131.5 108.92 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 54.9 mt -101.52 10.93 39.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.494 ' OD1' ' CG2' ' A' ' 57' ' ' ILE . 0.8 OUTLIER -101.99 71.51 1.28 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.558 ' HD2' ' CE2' ' A' ' 69' ' ' TYR . 7.3 ttpt -40.2 158.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.42 ' N ' ' HG2' ' A' ' 60' ' ' LYS . . . 63.91 44.72 4.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -102.49 176.65 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.6 84.35 2.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.73 164.4 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.938 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.3 p -89.79 24.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -120.09 9.88 11.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 p -76.06 134.67 40.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.499 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 39.5 t-105 -93.66 13.45 22.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 108.05 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.632 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 6.0 t80 -118.73 -11.14 9.86 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.843 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 5.8 ttmm -98.0 -44.87 6.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 26.9 m -64.62 -8.75 5.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 71.9 t -103.66 -46.13 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -103.58 31.65 4.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.579 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.826 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.5 OUTLIER -84.94 107.36 17.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.84 -22.16 50.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -118.7 141.37 48.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -174.62 136.73 3.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 79' ' ' ALA . . . -105.62 -67.31 0.69 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' GLY . . . -39.94 -46.13 1.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.411 ' HZ3' ' CG ' ' A' ' 39' ' ' HIS . 10.2 ptmt -161.25 159.42 24.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -80.36 -178.78 4.71 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.394 3.396 . . . . 0.0 109.563 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.826 HG21 ' HB2' ' A' ' 74' ' ' ASP . 41.6 p -129.58 -164.47 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.369 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.9 m -78.15 -4.25 46.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 108.281 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 88' ' ' LYS . 6.6 mm -110.32 -44.17 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.538 ' H ' ' HG ' ' A' ' 85' ' ' SER . 0.7 OUTLIER -53.41 -60.35 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.963 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.4 t -60.67 -58.79 6.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.322 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.401 ' CE1' HBC1 ' A' ' 116' ' ' HEC . 8.9 m170 -46.54 -37.95 8.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.589 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 84' ' ' ILE . 14.2 mtpt -60.38 -48.34 82.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -56.42 -40.62 75.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -61.76 -40.62 95.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.604 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -95.67 22.45 7.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 93' ' ' ASP . . . -85.5 61.13 4.63 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.405 ' CB ' ' O ' ' A' ' 92' ' ' GLY . 1.6 p-10 163.26 -58.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 96' ' ' GLU . 59.0 t0 -79.39 125.03 29.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -73.48 -40.35 64.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.425 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 23.6 tt0 -65.4 -26.99 68.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.789 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -75.7 -20.8 58.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -86.01 22.69 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.46 46.41 1.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.482 ' HE2' HD22 ' A' ' 97' ' ' LEU . 6.4 ptmt -166.33 -45.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.67 ' O ' HMC1 ' A' ' 116' ' ' HEC . 16.0 mt -91.89 -32.26 15.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.444 ' HA ' HMC2 ' A' ' 116' ' ' HEC . 27.9 p -120.06 2.94 10.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.7 117.29 9.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.768 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 1.2 m -60.95 -52.39 65.23 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.62 133.81 53.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.36 45.35 11.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.4 p -119.13 -179.51 3.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 110.023 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.24 -4.0 33.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.595 ' O ' HG22 ' A' ' 22' ' ' VAL . 87.0 m -105.88 -46.54 4.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 108.286 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -117.32 83.64 16.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.609 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 43.4 Cg_endo -91.62 72.53 0.8 Allowed 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.287 3.324 . . . . 0.0 109.568 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 98.4 p . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.907 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.833 HBD2 HMD1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 0.883 HMC3 ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 0.998 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.811 HMC1 HBC3 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 59.83 114.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.419 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 0.8 OUTLIER -54.53 117.6 13.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 3' ' ' VAL . 38.7 Cg_exo -41.53 164.01 0.03 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.295 3.33 . . . . 0.0 109.639 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.01 150.56 24.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -164.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.17 35.08 70.21 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.7 97.3 9.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 0.747 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -70.79 142.16 51.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.757 HG22 ' O2D' ' A' ' 116' ' ' HEC . 11.4 mt -123.36 121.65 63.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.491 ' HB2' HG23 ' A' ' 21' ' ' THR . 5.8 t70 -160.95 91.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -115.35 -25.85 7.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.43 HG21 ' CD ' ' A' ' 60' ' ' LYS . 49.4 mt -98.07 96.68 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.43 154.16 35.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -152.87 126.13 1.93 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 41.31 -142.52 0.96 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -90.44 22.57 3.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.735 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -139.8 -163.52 1.52 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 169.61 128.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.415 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 37.6 mt -74.71 117.73 16.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.491 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -104.89 112.35 25.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.432 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 109' ' ' CYS . 71.0 t -98.26 141.67 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.2 t -105.29 140.68 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.504 ' HB2' HD11 ' A' ' 10' ' ' ILE . 45.2 t80 -133.75 150.29 51.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 48.7 t-20 -135.53 142.43 45.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.454 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 14.9 m80 -87.11 -21.06 26.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.607 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.22 6.28 17.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.497 HG21 HBA1 ' A' ' 115' ' ' HEC . 85.5 m -102.09 -39.5 7.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.442 ' CE1' ' CE1' ' A' ' 24' ' ' PHE . 46.8 m80 -102.73 23.65 11.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.609 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -56.68 -18.69 13.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.23 -0.44 57.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.579 HG12 ' CB ' ' A' ' 36' ' ' ASP . 17.4 t -112.65 130.8 65.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.836 ' O ' HMC3 ' A' ' 113' ' ' HEC . 32.4 mttm -51.61 160.97 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.475 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 10.6 m -75.56 -40.39 56.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 108.332 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.0 p30 -68.4 -8.19 38.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.579 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.6 t70 -66.21 -18.03 65.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 86.4 m -131.66 -48.84 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 108.321 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -77.58 68.0 3.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.574 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 5.8 p80 -76.93 58.02 1.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.574 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.565 ' OE1' HBC2 ' A' ' 114' ' ' HEC . 57.3 mm-40 -131.23 151.82 79.51 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 42' ' ' GLY . 38.3 Cg_endo -58.51 152.65 53.48 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.348 3.365 . . . . 0.0 109.634 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 41' ' ' PRO . . . -48.74 179.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 73.69 -68.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.724 ' HG3' ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -107.31 22.5 15.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -46.39 -38.97 9.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -102.75 91.27 4.1 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.012 -0.994 . . . . 0.0 109.813 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.724 ' HB2' ' HG3' ' A' ' 44' ' ' LYS . . . -132.37 175.73 9.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.582 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -66.91 139.77 37.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.464 1.103 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.2 m -75.36 -29.57 59.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 50.4 p -91.59 23.12 3.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 89.5 m -71.97 154.98 40.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -54.67 153.29 6.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.352 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.45 25.43 49.4 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.464 1.103 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.1 m -138.92 -131.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.255 -1.016 . . . . 0.0 108.255 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.407 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 45.9 m-70 -94.19 49.95 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.595 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -88.3 63.08 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.2 mm -132.31 115.33 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.5 mt -106.37 76.81 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -163.08 124.26 2.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 10.1 mtmt -87.41 46.19 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 60' ' ' LYS . . . 177.35 58.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -115.46 176.7 4.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -133.15 84.32 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.9 p -175.51 162.3 2.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 65' ' ' VAL . 6.1 p -85.13 9.48 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.407 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 1.6 m-20 -104.33 14.32 30.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.6 p -78.0 133.25 38.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.527 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 30.8 t-105 -94.4 14.38 20.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 107.999 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.626 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 15.2 t80 -124.14 -1.27 8.25 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.802 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 74' ' ' ASP . 2.7 ttmm -107.69 -37.06 6.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 28.0 m -73.79 -2.28 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.7 t -105.4 -54.62 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -92.94 24.24 3.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.591 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.788 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.3 OUTLIER -70.77 140.55 51.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.59 1.181 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -128.67 19.98 6.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -125.24 153.88 42.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -111.33 -174.84 20.04 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.721 ' O ' ' HB2' ' A' ' 79' ' ' ALA . . . 126.59 39.41 0.4 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.721 ' HB2' ' O ' ' A' ' 78' ' ' GLY . . . 159.01 -53.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 0.792 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.07 159.03 12.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -77.39 -171.64 1.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.293 3.329 . . . . 0.0 109.581 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.788 HG21 ' CB ' ' A' ' 74' ' ' ASP . 34.2 p -140.44 -166.58 2.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.403 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.7 m -76.74 -3.86 40.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 108.293 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.464 ' CG2' ' HD2' ' A' ' 88' ' ' LYS . 8.7 mm -112.26 -43.9 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.84 -62.13 1.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.969 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.4 t -59.75 -57.66 11.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 108.31 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.41 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 8.0 m170 -46.83 -38.94 11.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.6 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.464 ' HD2' ' CG2' ' A' ' 84' ' ' ILE . 3.9 mtpp -60.01 -48.18 82.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 1.067 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -56.53 -39.76 73.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.347 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -63.73 -43.82 95.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.615 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -92.56 25.92 2.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.593 ' O ' ' CB ' ' A' ' 93' ' ' ASP . . . -77.26 109.0 2.7 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.593 ' CB ' ' O ' ' A' ' 92' ' ' GLY . 3.3 t70 89.0 -19.06 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 0.799 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -95.29 112.44 24.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -37.7 56.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -65.29 -37.28 86.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.257 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.707 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -78.74 -15.77 58.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -86.31 24.07 1.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -143.92 47.42 1.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.548 ' HE2' HD22 ' A' ' 97' ' ' LEU . 7.6 ptmt -168.02 -45.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.641 ' O ' HMC1 ' A' ' 116' ' ' HEC . 13.1 mt -91.6 -31.91 15.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.447 ' HA ' HMC2 ' A' ' 116' ' ' HEC . 21.4 p -122.35 5.2 9.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.383 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.72 116.27 9.11 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.741 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 1.2 m -59.72 -50.15 74.96 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -123.22 135.53 54.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.15 43.04 27.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.969 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 55.2 p -114.52 175.03 5.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.04 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.94 -7.23 44.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.36 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.673 ' O ' HG22 ' A' ' 22' ' ' VAL . 99.9 m -101.86 -46.94 4.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 108.288 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -117.64 83.52 17.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.616 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 44.7 Cg_endo -91.76 71.71 0.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.294 3.33 . . . . 0.0 109.606 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.956 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.836 HMC3 ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 0.716 HBB3 HMB1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 1.022 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.813 HMC1 HBC3 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 1' ' ' VAL . 3.9 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 1' ' ' VAL . 9.9 p-10 -37.61 127.5 1.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.442 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 0.4 OUTLIER -54.44 116.47 10.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 3' ' ' VAL . 46.1 Cg_exo -42.38 165.63 0.03 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.3 3.333 . . . . 0.0 109.568 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -82.59 150.53 26.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 5' ' ' ALA . 1.7 p-10 -53.85 -172.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.87 44.47 30.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.65 96.87 7.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.478 ' HD3' ' CG2' ' A' ' 21' ' ' THR . 0.0 OUTLIER -71.25 145.97 49.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.585 HG22 ' O1D' ' A' ' 116' ' ' HEC . 13.0 mt -125.89 125.96 69.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -165.11 91.85 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -114.93 -27.77 7.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.1 mt -96.74 96.13 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 173.93 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -147.7 58.84 0.47 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.14 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.87 -92.39 0.2 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.62 -49.31 4.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 0.765 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -84.42 -166.47 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 173.8 129.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.498 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 35.8 mt -77.53 132.85 38.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.478 ' CG2' ' HD3' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -119.2 113.63 21.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.399 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.859 HG22 ' O ' ' A' ' 109' ' ' CYS . 59.6 t -100.89 132.01 47.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.7 t -96.12 133.46 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.578 ' HB2' HD11 ' A' ' 10' ' ' ILE . 43.5 t80 -128.99 151.81 49.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 23.5 t30 -140.32 145.29 37.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.45 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 16.7 m80 -86.32 -27.5 24.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.589 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.431 ' H ' ' HG ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -74.03 -1.77 21.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.008 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.476 HG21 HBA1 ' A' ' 115' ' ' HEC . 84.7 m -92.65 -41.21 10.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -102.54 24.33 10.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.608 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -18.74 12.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.92 3.12 55.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.48 HG12 ' CB ' ' A' ' 36' ' ' ASP . 42.6 t -114.3 132.76 62.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.849 ' O ' HMC3 ' A' ' 113' ' ' HEC . 27.2 mttm -53.04 158.98 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.495 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 11.6 m -74.75 -42.0 59.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 108.287 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.8 p30 -67.32 -9.01 36.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.48 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.5 t0 -65.04 -18.56 65.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.507 ' HA ' ' HZ2' ' A' ' 80' ' ' LYS . 91.7 m -130.71 -49.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 108.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -76.24 77.41 3.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.579 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.541 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 2.8 p80 -88.68 50.83 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.546 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.528 ' HG2' HMC2 ' A' ' 114' ' ' HEC . 1.5 mp0 -112.66 172.94 3.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.477 ' CD ' ' HB3' ' A' ' 40' ' ' GLN . 19.2 Cg_exo -70.69 147.22 56.43 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.312 3.341 . . . . 0.0 109.612 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 43' ' ' ASP . . . -46.42 -51.74 11.71 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -38.9 -50.67 1.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 109.245 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -131.53 56.83 1.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' PRO . 15.1 tt0 -52.22 -46.48 65.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -103.49 103.27 13.22 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.829 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.78 -178.89 6.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.798 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -70.59 141.22 33.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.3 m -77.87 -30.73 50.99 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 35.6 p -93.02 20.62 6.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.37 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.9 m -66.95 156.71 35.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.4 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 1.1 m-20 -55.4 153.56 7.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.98 15.86 22.73 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.591 1.182 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 12.1 m -129.44 -136.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.412 ' O ' ' HA ' ' A' ' 50' ' ' THR . 37.3 m-70 -89.57 46.41 1.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.546 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -81.89 65.66 7.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.3 mm -132.5 108.05 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.2 mt -98.55 74.47 2.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -167.79 153.56 7.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.544 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 9.7 pttt -115.23 57.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 60' ' ' LYS . . . 173.33 58.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -117.74 174.91 5.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -133.12 81.68 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.9 p -176.38 163.63 2.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.947 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 65' ' ' VAL . 6.7 p -88.46 38.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 31.5 m120 -130.54 9.14 5.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 p -76.21 134.86 39.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.013 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.533 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 35.8 t-105 -95.29 17.15 14.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 107.997 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.615 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 17.9 t80 -123.08 -3.87 8.53 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.781 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 4.6 ttmt -108.83 -41.8 4.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 29.6 m -64.2 -9.5 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.8 t -100.81 -50.25 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -96.72 26.58 4.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.57 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.613 ' CB ' HG21 ' A' ' 82' ' ' THR . 1.2 m-20 -83.36 121.24 26.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.29 -5.72 29.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -84.02 155.57 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -72.05 -162.79 6.01 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 79' ' ' ALA . . . 145.84 -173.12 26.3 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 78' ' ' GLY . . . -39.43 -45.86 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.507 ' HZ2' ' HA ' ' A' ' 37' ' ' CYS . 5.5 pttt -146.84 149.13 35.2 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -58.3 -172.29 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.335 3.356 . . . . 0.0 109.612 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.613 HG21 ' CB ' ' A' ' 74' ' ' ASP . 40.3 p -126.38 -166.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.394 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.4 m -79.89 -2.42 43.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 108.262 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 88' ' ' LYS . 3.9 mm -112.45 -43.08 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.96 -60.87 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 8.7 t -61.85 -57.54 11.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.331 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.515 ' CE1' HBC1 ' A' ' 116' ' ' HEC . 9.7 m170 -46.47 -34.39 4.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.598 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 84' ' ' ILE . 2.9 mmtp -66.23 -48.66 69.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -56.13 -40.7 74.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.3 mmtm -60.09 -39.1 84.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 98' ' ' LYS . . . -91.89 23.87 3.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.242 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -88.01 57.6 4.31 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 168.09 -58.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 0.736 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 96' ' ' GLU . 54.5 t0 -82.91 125.97 31.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -74.35 -42.04 60.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.449 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 14.6 tt0 -64.74 -27.29 68.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.913 HD22 ' HD3' ' A' ' 100' ' ' LYS . 0.8 OUTLIER -73.89 -21.41 60.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.518 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 13.0 ttmm -85.69 21.81 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -135.92 44.98 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.913 ' HD3' HD22 ' A' ' 97' ' ' LEU . 7.2 ptmm? -162.45 -48.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.712 ' O ' HMC1 ' A' ' 116' ' ' HEC . 13.6 mt -86.78 -32.14 20.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 36.6 p -118.53 7.81 11.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -63.6 116.57 9.42 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.75 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 0.8 OUTLIER -60.27 -57.79 11.28 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -121.21 138.71 54.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.08 42.04 37.84 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.2 p -116.87 179.21 4.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.783 . . . . 0.0 110.03 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.43 -10.82 60.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.859 ' O ' HG22 ' A' ' 22' ' ' VAL . 98.7 m -97.07 -47.83 5.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 108.342 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -118.47 84.04 22.74 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.606 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 49.6 Cg_endo -92.71 70.81 0.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.283 3.322 . . . . 0.0 109.606 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.849 HMC3 ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 0.798 HMC3 ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 1.026 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.802 HMD1 HBD1 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.6 t0 61.4 119.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 0.3 OUTLIER -54.46 116.41 10.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 3' ' ' VAL . 39.7 Cg_exo -42.14 165.22 0.03 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 124.293 3.328 . . . . 0.0 109.59 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.52 149.5 50.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.53 -179.17 5.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.58 39.7 78.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.147 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.57 112.61 21.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -71.1 144.84 50.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.692 HD11 ' HB2' ' A' ' 24' ' ' PHE . 11.2 mt -126.27 123.77 64.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.705 ' HB2' HG23 ' A' ' 21' ' ' THR . 5.7 t70 -158.97 91.52 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -116.11 -26.3 7.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.8 mt -103.22 102.54 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.22 144.95 25.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 159.5 -175.97 36.32 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.75 -178.42 32.51 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -42.42 -31.38 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 110.35 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.01 -74.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 163.78 126.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.5 mt -74.75 133.66 41.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.705 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -123.37 120.8 34.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 109' ' ' CYS . 76.0 t -101.34 149.73 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.7 t -111.96 144.0 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.692 ' HB2' HD11 ' A' ' 10' ' ' ILE . 37.1 t80 -134.31 146.76 50.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.426 ' OD1' ' CB ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -137.3 124.26 21.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -73.31 -18.97 61.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.581 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.8 p -85.52 10.5 12.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.961 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.485 HG21 HBA1 ' A' ' 115' ' ' HEC . 19.3 m -106.08 -40.1 5.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.383 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -101.98 23.35 11.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.639 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -56.6 -19.48 16.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -89.0 -0.47 57.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.484 HG12 ' CB ' ' A' ' 36' ' ' ASP . 45.1 t -111.11 131.8 61.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.304 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.796 ' O ' HMC3 ' A' ' 113' ' ' HEC . 20.7 mmtt -51.82 157.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.435 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 10.1 m -73.92 -41.58 61.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 108.29 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.8 p30 -66.88 -9.51 38.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.484 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.5 t70 -64.87 -18.54 65.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 81.1 m -131.23 -48.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 108.277 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -78.0 87.65 4.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.609 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.468 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 3.4 p80 -101.91 44.67 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.601 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.693 ' HG2' HMC2 ' A' ' 114' ' ' HEC . 1.2 mp0 -106.54 148.56 37.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 42' ' ' GLY . 11.1 Cg_endo -53.76 147.35 41.08 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.341 3.36 . . . . 0.0 109.62 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 43' ' ' ASP . . . -45.04 171.23 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.564 1.165 . . . . 0.0 111.011 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 42' ' ' GLY . 0.9 OUTLIER 81.3 -56.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -116.13 27.9 8.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -38.9 -40.72 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -106.58 88.58 2.8 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.809 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -127.14 -175.94 3.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.87 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -72.5 143.11 33.56 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.6 m -79.03 -35.02 43.37 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 18.2 p -89.37 20.0 4.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 27.7 m -65.78 156.79 32.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.076 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.402 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 35.6 t0 -55.31 153.59 6.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.61 15.82 19.83 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 51' ' ' THR . 13.2 m -129.6 -136.62 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 50' ' ' THR . 41.1 m-70 -88.4 44.19 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.614 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -81.97 67.09 7.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.437 HG23 ' OD2' ' A' ' 59' ' ' ASP . 3.7 mm -133.28 108.59 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.2 mt -100.2 10.02 41.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.437 ' OD2' HG23 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -100.37 69.64 1.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.647 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 13.3 ptmt -42.04 141.58 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 60' ' ' LYS . . . 81.37 49.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -109.59 175.68 5.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -123.4 83.86 2.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.3 p -175.98 161.57 2.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.657 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.4 p -88.41 38.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 31.1 m120 -134.23 10.41 3.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 p -77.98 134.1 37.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.514 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 35.6 t-105 -93.11 14.09 18.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 108.022 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.63 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 8.1 t80 -120.79 -10.48 9.14 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.844 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.548 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 18.2 ttpp -98.98 -44.77 6.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.6 m -63.8 -7.88 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.5 t -104.59 -45.86 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -102.39 29.74 5.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.584 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.596 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.5 OUTLIER -87.51 107.46 18.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.54 -28.44 31.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.64 146.48 51.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -67.44 -151.77 0.25 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 80' ' ' LYS . . . 144.1 -169.93 26.09 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.05 -23.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 0.769 . . . . 0.0 109.352 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.427 ' HZ3' ' CG ' ' A' ' 39' ' ' HIS . 6.4 ptmt -157.61 160.33 30.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -77.81 -170.17 0.9 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.332 3.355 . . . . 0.0 109.631 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.596 HG21 ' HB2' ' A' ' 74' ' ' ASP . 30.3 p -137.4 -165.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.396 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.8 m -78.56 -4.31 48.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 108.287 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 88' ' ' LYS . 3.9 mm -111.77 -43.53 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.91 -62.33 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 17.2 t -60.04 -55.84 29.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 108.332 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.422 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 7.2 m170 -47.15 -38.47 11.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.579 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 84' ' ' ILE . 8.6 mttt -60.42 -46.06 91.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -56.81 -40.65 76.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -63.29 -41.09 98.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.627 ' HB1' ' HB2' ' A' ' 98' ' ' LYS . . . -69.1 -79.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 73.24 -120.2 7.03 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -38.61 36.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 0.732 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -54.71 100.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -69.7 -32.76 71.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -66.37 -24.09 66.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.738 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -88.09 -30.81 19.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.627 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 23.8 ttpp -79.3 8.02 6.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -120.33 44.58 2.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 107' ' ' SER . 6.5 ptmt -166.3 -46.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.544 ' O ' HMC1 ' A' ' 116' ' ' HEC . 15.4 mt -87.72 -29.77 20.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.403 ' HA ' HMC2 ' A' ' 116' ' ' HEC . 28.6 p -122.04 4.59 9.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.36 127.54 45.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.751 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 0.9 OUTLIER -71.7 -54.26 10.87 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -121.28 131.46 54.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.42 44.67 12.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 47.6 p -115.7 176.96 4.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 0.77 . . . . 0.0 110.037 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.27 -7.61 43.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.458 ' O ' HG22 ' A' ' 22' ' ' VAL . 85.6 m -102.75 -46.22 4.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 108.31 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -117.41 83.54 16.73 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.589 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 43.3 Cg_endo -91.67 73.61 0.71 Allowed 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.294 3.329 . . . . 0.0 109.598 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.99 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.796 HMC3 ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 0.87 HMC3 ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 1.006 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.823 HMC1 HBC3 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 60.1 114.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.8 OUTLIER -54.5 120.43 26.71 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 3' ' ' VAL . 41.7 Cg_exo -40.55 162.99 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.296 3.33 . . . . 0.0 109.653 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.24 152.7 22.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.302 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -56.64 -164.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' N ' ' OD2' ' A' ' 6' ' ' ASP . . . 80.97 -0.65 86.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 135.59 57.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.256 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.538 ' HG2' HG22 ' A' ' 23' ' ' VAL . 61.4 mttt -118.76 137.66 53.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.475 HG22 ' O2D' ' A' ' 116' ' ' HEC . 6.0 mt -111.65 126.64 69.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.568 ' HB2' HG23 ' A' ' 21' ' ' THR . 2.9 t70 -161.36 86.24 0.67 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -113.7 -26.9 8.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.7 mt -94.22 104.6 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 64.28 179.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -158.19 -142.04 3.3 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.452 ' O ' ' ND2' ' A' ' 19' ' ' ASN . . . 79.9 -150.3 32.33 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -89.07 -36.22 15.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.18 46.83 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 16' ' ' GLY . 4.5 p-10 -105.76 130.33 53.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.501 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 12.2 mt -81.2 90.06 6.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.568 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.6 m -89.97 111.69 22.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.614 HG22 ' O ' ' A' ' 109' ' ' CYS . 75.0 t -96.84 125.16 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.538 HG22 ' HG2' ' A' ' 9' ' ' LYS . 91.3 t -88.49 146.64 5.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -138.87 147.82 42.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 26' ' ' HIS . 49.5 t-20 -133.3 141.29 47.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.449 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 17.5 m80 -86.53 -20.45 27.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.601 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.79 6.93 16.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.52 HG21 HBA1 ' A' ' 115' ' ' HEC . 92.0 m -103.23 -40.38 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 110.396 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -100.86 23.81 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.636 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -19.23 13.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.31 2.06 53.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.574 HG12 ' CB ' ' A' ' 36' ' ' ASP . 20.0 t -115.73 131.88 66.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.86 ' O ' HMC3 ' A' ' 113' ' ' HEC . 23.2 mttm -53.49 163.39 0.64 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.485 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 9.8 m -76.46 -42.94 41.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 108.269 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.5 p30 -65.87 -9.28 27.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.574 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.3 t0 -65.54 -17.6 64.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.45 ' HA ' ' NZ ' ' A' ' 80' ' ' LYS . 93.9 m -132.02 -49.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.3 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -76.99 76.75 3.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.622 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.472 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 3.4 p80 -88.09 43.93 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.656 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.665 ' HG2' HMC2 ' A' ' 114' ' ' HEC . 1.4 mp0 -107.77 145.98 32.46 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.47 149.0 68.99 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.323 3.349 . . . . 0.0 109.585 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 43' ' ' ASP . . . -44.49 170.09 0.01 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.467 1.104 . . . . 0.0 110.961 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 42' ' ' GLY . 1.4 m-20 81.45 -53.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.98 ' HG3' ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -120.6 32.44 5.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -46.12 -48.37 17.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -101.01 89.21 3.75 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.801 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.98 ' HB2' ' HG3' ' A' ' 44' ' ' LYS . . . -128.33 -176.46 3.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.625 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -76.95 140.11 24.41 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.6 m -74.78 -31.19 61.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.7 p -90.24 22.93 3.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 91.6 m -72.6 156.09 39.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.413 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 15.9 t0 -55.92 154.67 7.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.51 23.5 35.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.567 1.167 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 18.3 m -136.64 -130.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.413 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 49.6 m-70 -95.34 50.05 1.23 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 109.568 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -87.39 65.05 8.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.17 . . . . 0.0 109.337 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.7 mm -131.21 109.72 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.8 mt -100.89 41.01 1.21 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.4 OUTLIER -139.3 104.51 5.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.22 59.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 59' ' ' ASP . . . -176.44 54.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -115.58 169.11 9.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.17 -29.68 6.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 m -63.58 160.91 15.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.011 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.0 p -85.97 41.66 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.236 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.413 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 1.9 m-20 -126.4 12.67 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.405 ' OG ' ' CB ' ' A' ' 70' ' ' LYS . 94.7 p -75.21 133.09 41.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.517 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 39.9 t-105 -96.74 16.27 19.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 108.022 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 11.7 t80 -123.92 -4.08 8.09 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.848 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.571 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 9.6 ttpp -107.83 -42.56 4.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 34.8 m -64.27 -8.36 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.0 t -102.35 -43.37 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -106.22 34.45 3.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.596 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.571 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -101.14 123.35 45.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -98.5 8.56 44.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' O ' ' OD1' ' A' ' 74' ' ' ASP . 6.9 tttp -90.99 153.48 20.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.41 -163.77 4.74 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.435 ' C ' ' N ' ' A' ' 80' ' ' LYS . . . 145.69 -174.23 25.74 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.96 -28.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 109.32 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.45 ' NZ ' ' HA ' ' A' ' 37' ' ' CYS . 4.5 ptmt -163.7 149.57 9.57 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.77 -172.09 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.31 3.34 . . . . 0.0 109.608 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 46.9 p -123.46 -165.61 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.424 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.7 m -82.85 1.9 36.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 108.298 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.454 HD13 ' HA ' ' A' ' 84' ' ' ILE . 9.6 mm -114.7 -43.48 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 m -53.52 -61.4 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.8 t -61.69 -58.55 7.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 108.281 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.42 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 7.2 m170 -45.56 -39.24 7.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.62 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.536 ' HE3' HG21 ' A' ' 102' ' ' THR . 9.6 mmtp -59.6 -49.58 77.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -54.39 -40.34 68.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.381 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -63.51 -44.6 93.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.662 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -92.02 21.23 5.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.413 ' O ' ' CB ' ' A' ' 93' ' ' ASP . . . -86.35 61.45 4.44 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.413 ' CB ' ' O ' ' A' ' 92' ' ' GLY . 1.0 OUTLIER 161.0 -56.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 0.788 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 96' ' ' GLU . 52.0 t0 -78.56 125.22 29.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 1.085 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -72.69 -40.24 66.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.444 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 7.6 tp10 -64.99 -24.82 67.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.662 HD12 ' HB2' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -79.61 -21.78 44.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -85.96 22.03 1.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -142.27 46.83 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 107' ' ' SER . 7.4 ptmt -167.86 -44.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.355 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.663 ' O ' HMC1 ' A' ' 116' ' ' HEC . 12.7 mt -92.02 -33.42 14.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.536 HG21 ' HE3' ' A' ' 88' ' ' LYS . 21.6 p -121.35 7.81 10.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -62.62 113.21 5.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.762 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 1.0 OUTLIER -56.25 -53.05 61.86 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -124.6 135.71 53.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.122 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.41 46.22 12.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 54.2 p -120.46 -179.32 3.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.16 -4.05 33.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.614 ' O ' HG22 ' A' ' 22' ' ' VAL . 92.5 m -105.2 -48.49 3.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 108.302 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -117.75 82.84 17.02 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.629 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 43.9 Cg_endo -92.32 69.49 0.75 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.26 3.307 . . . . 0.0 109.575 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.984 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.86 HMC3 ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 0.665 HMC2 ' HG2' ' A' ' 40' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 1.029 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.798 HMD1 HBD1 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 1' ' ' VAL . 2.2 p . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.3 t0 57.21 105.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -55.97 121.2 39.13 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -39.62 161.76 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.206 0 C-N-CA 124.316 3.344 . . . . 0.0 109.601 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -88.29 154.92 20.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' ALA . 2.7 p-10 -53.63 -172.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.12 39.53 62.76 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.51 112.93 24.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -90.79 133.35 35.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.428 HG23 ' O2D' ' A' ' 113' ' ' HEC . 19.2 mt -114.12 115.69 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.638 ' HB2' HG23 ' A' ' 21' ' ' THR . 11.7 t70 -151.34 93.31 1.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.454 ' CE2' ' O2D' ' A' ' 113' ' ' HEC . 23.3 m-85 -115.17 -26.73 7.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.9 mt -96.75 84.29 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.65 174.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -144.45 -102.1 0.37 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.549 1.155 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -173.28 -92.23 0.08 OUTLIER Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -48.93 -31.67 7.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -157.87 -159.11 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -171.14 125.61 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.495 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 28.0 mt -75.42 115.14 14.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.638 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.4 m -109.94 111.59 23.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.376 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 109' ' ' CYS . 72.6 t -91.46 141.63 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.3 t -106.78 135.11 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.363 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.414 ' HB2' HD11 ' A' ' 10' ' ' ILE . 38.7 t80 -127.21 148.2 50.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -135.34 125.68 26.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -74.32 -9.65 58.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.624 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 p -93.3 15.3 15.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.959 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.499 HG21 HBA1 ' A' ' 115' ' ' HEC . 62.8 m -113.71 -37.71 4.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.381 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -101.98 23.17 11.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.636 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -19.6 15.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -87.14 0.08 55.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.487 HG11 HBC2 ' A' ' 115' ' ' HEC . 34.6 t -113.73 130.38 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.845 ' O ' HMC3 ' A' ' 113' ' ' HEC . 32.9 mttm -52.09 158.94 0.99 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.485 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 10.1 m -74.42 -41.76 60.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 108.304 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -67.47 -8.96 37.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.484 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.3 t70 -65.43 -18.15 65.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 95.2 m -130.77 -48.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 108.269 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -77.37 86.28 3.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.597 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 5.3 p80 -97.63 60.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.627 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.641 ' OE1' HBC2 ' A' ' 114' ' ' HEC . 34.6 mm-40 -130.55 170.62 10.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.512 ' CD ' ' HB3' ' A' ' 40' ' ' GLN . 14.0 Cg_exo -72.99 147.62 43.73 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.304 3.336 . . . . 0.0 109.563 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 43' ' ' ASP . . . -41.17 -55.38 3.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 42' ' ' GLY . 0.3 OUTLIER -39.25 -39.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.439 ' HD2' ' HB2' ' A' ' 47' ' ' ALA . 11.3 mmtm -126.85 37.28 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.489 ' HG2' ' CZ ' ' A' ' 46' ' ' TYR . 1.0 OUTLIER -38.24 -52.1 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.489 ' CZ ' ' HG2' ' A' ' 45' ' ' GLN . 21.2 m-85 -117.59 93.4 4.14 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.842 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.439 ' HB2' ' HD2' ' A' ' 44' ' ' LYS . . . -122.52 -178.45 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.702 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -77.29 139.68 23.56 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.6 m -74.66 -31.78 62.04 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.6 p -90.26 22.22 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 87.7 m -71.44 155.43 40.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.412 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -55.0 152.09 8.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.78 25.94 52.96 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.5 m -138.58 -132.76 0.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 47.9 m-70 -92.97 49.69 1.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.564 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -90.69 67.0 6.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.3 mm -133.02 108.44 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 63.7 mt -101.1 26.83 6.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.09 78.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.625 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -50.75 142.31 11.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 60' ' ' LYS . . . 79.57 43.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -107.5 177.09 4.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -122.8 85.54 2.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.5 155.12 1.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.996 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 65' ' ' VAL . 4.3 p -80.76 3.79 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.107 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.402 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 29.0 m120 -97.37 9.57 41.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 p -75.68 134.08 40.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.538 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 29.0 t-105 -96.42 14.88 22.96 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.642 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 13.4 t80 -119.84 -7.32 10.01 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.828 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.571 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 11.4 ttmm -101.16 -43.74 5.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 26.4 m -64.75 -9.09 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.3 t -100.83 -57.25 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -91.62 24.4 3.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.558 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.761 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.4 OUTLIER -71.89 124.12 24.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.94 9.11 17.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -145.43 83.22 1.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.259 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.47 150.86 17.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -119.75 -72.62 0.36 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.47 -42.71 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.435 ' HZ2' ' CG ' ' A' ' 39' ' ' HIS . 7.4 ptmt -157.49 160.73 30.14 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -80.48 -171.24 1.19 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.28 3.32 . . . . 0.0 109.607 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.761 HG21 ' CB ' ' A' ' 74' ' ' ASP . 25.4 p -138.77 -165.0 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.41 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m -77.5 -5.68 50.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 108.346 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 88' ' ' LYS . 9.4 mm -110.14 -44.01 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.69 -60.57 3.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.969 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.4 t -60.23 -58.0 10.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.272 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.4 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 8.8 m170 -47.1 -38.14 10.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.585 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -61.32 -47.88 83.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -55.49 -40.16 71.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -62.99 -41.22 99.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.545 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -92.99 21.7 5.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.401 ' C ' ' OD1' ' A' ' 93' ' ' ASP . . . -85.35 57.97 4.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' A' ' 92' ' ' GLY . 2.4 p-10 164.84 -57.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 96' ' ' GLU . 57.5 t0 -79.16 121.43 25.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -70.98 -38.28 72.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.446 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 29.3 mt-10 -66.13 -27.36 67.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.729 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -76.23 -19.98 57.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -86.37 23.8 1.51 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -142.92 47.76 1.52 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.421 ' HE2' HD22 ' A' ' 97' ' ' LEU . 7.1 ptmt -167.91 -45.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.625 ' O ' HMC1 ' A' ' 116' ' ' HEC . 19.3 mt -90.52 -30.7 17.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.454 ' HA ' HMC2 ' A' ' 116' ' ' HEC . 25.8 p -122.35 0.87 9.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.368 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.56 119.72 17.76 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.773 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 1.3 m -62.52 -49.67 74.42 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.95 137.36 54.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.25 40.43 49.49 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 35.4 p -110.92 176.19 5.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.4 -5.12 37.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.492 ' O ' HG22 ' A' ' 22' ' ' VAL . 93.5 m -103.88 -46.17 4.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 108.303 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -117.44 83.76 17.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.591 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 49.0 Cg_endo -90.99 72.16 1.01 Allowed 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.276 3.317 . . . . 0.0 109.614 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 110.016 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.845 HMC3 ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 0.729 HBB3 HMB1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 1.001 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.825 HMC1 HBC3 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.494 ' N ' HMB3 ' A' ' 113' ' ' HEC . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 t70 175.97 72.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.757 HG22 ' HB3' ' A' ' 26' ' ' HIS . 0.4 OUTLIER -53.21 108.81 1.2 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -51.73 162.82 1.49 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.308 3.339 . . . . 0.0 109.592 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.43 151.03 24.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -52.48 -175.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.29 0.78 87.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 24' ' ' PHE . . . -61.16 138.19 58.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' HG2' HG22 ' A' ' 23' ' ' VAL . 19.4 mttp -121.13 136.63 54.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.454 HD11 ' HB2' ' A' ' 24' ' ' PHE . 8.7 mt -111.19 131.16 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.445 ' HB2' HG23 ' A' ' 21' ' ' THR . 3.7 t70 -165.07 92.78 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -115.54 -27.34 7.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.8 mt -96.58 100.9 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.43 99.63 4.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.92 -170.4 30.8 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . 77.18 175.95 43.39 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' GLY . 4.7 mm-40 -38.5 -49.44 1.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 0.74 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.12 -57.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.373 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.7 p30 170.23 114.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.489 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 14.5 mt -74.97 111.73 10.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.445 HG23 ' HB2' ' A' ' 11' ' ' ASP . 2.6 m -108.81 112.15 24.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.455 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 109' ' ' CYS . 77.1 t -93.93 130.9 42.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.456 HG22 ' HG2' ' A' ' 9' ' ' LYS . 65.3 t -94.63 130.59 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.47 ' CE1' ' CE1' ' A' ' 29' ' ' HIS . 35.6 t80 -126.0 143.5 51.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -127.71 126.97 42.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.757 ' HB3' HG22 ' A' ' 3' ' ' VAL . 5.6 m80 -74.34 -19.25 60.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.576 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.0 p -86.95 14.12 7.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.531 HG21 HBA1 ' A' ' 115' ' ' HEC . 92.7 m -110.06 -33.72 6.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.47 ' CE1' ' CE1' ' A' ' 24' ' ' PHE . 56.6 m80 -105.35 22.21 15.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.572 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -19.04 14.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.3 -2.01 57.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.577 HG12 ' CB ' ' A' ' 36' ' ' ASP . 12.0 t -114.02 134.94 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.864 ' O ' HMC3 ' A' ' 113' ' ' HEC . 38.1 mttt -55.52 161.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.498 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 8.9 m -75.41 -41.66 55.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 108.256 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -67.05 -8.64 31.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.577 ' CB ' HG12 ' A' ' 32' ' ' VAL . 2.2 t70 -64.72 -18.94 65.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 72.3 m -131.39 -49.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 108.309 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.404 ' HB3' ' O ' ' A' ' 45' ' ' GLN . 98.0 m-70 -73.4 70.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 1.9 p80 -85.27 49.33 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.591 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.723 ' CG ' HMC2 ' A' ' 114' ' ' HEC . 1.4 mp0 -108.16 130.03 23.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -86.33 155.01 9.4 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.317 3.345 . . . . 0.0 109.576 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' C ' ' N ' ' A' ' 44' ' ' LYS . . . 82.98 163.89 34.84 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.37 -27.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.956 ' HG2' ' HB2' ' A' ' 47' ' ' ALA . 2.8 tttt -85.12 48.9 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.238 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.404 ' O ' ' HB3' ' A' ' 38' ' ' HIS . 37.8 tt0 -75.82 -18.03 59.62 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 110.248 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -119.14 67.42 0.79 Allowed 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.855 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.956 ' HB2' ' HG2' ' A' ' 44' ' ' LYS . . . -112.15 -176.22 2.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.742 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -73.63 149.49 41.81 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.3 m -79.78 -30.44 40.65 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.3 p -89.81 21.45 3.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.368 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 27.9 m -70.04 156.35 39.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.341 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 8.7 m-20 -56.62 154.4 8.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.22 19.98 26.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 17.4 m -132.74 -131.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -94.58 48.44 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.616 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -85.16 65.94 9.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.0 mm -133.06 119.04 35.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.8 mt -111.59 8.58 20.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -97.66 70.27 2.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.581 ' HG3' ' CD2' ' A' ' 69' ' ' TYR . 0.8 OUTLIER -39.24 150.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 60' ' ' LYS . . . 68.53 45.65 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -103.63 177.98 4.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.11 84.6 2.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.92 161.44 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.989 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.0 p -85.57 11.87 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -106.85 9.21 30.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.1 p -75.48 135.48 40.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.524 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 33.2 t-105 -95.58 14.3 23.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 108.012 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.645 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 5.2 t80 -119.88 -9.91 9.6 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.857 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.589 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 16.1 ttpp -98.44 -45.06 6.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 29.3 m -63.03 -8.89 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 83.9 t -105.31 -42.12 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -107.14 34.32 3.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.629 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.589 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -97.27 127.87 43.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -111.68 26.15 10.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -118.55 153.1 34.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -115.11 -172.82 17.46 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.718 ' O ' ' HB2' ' A' ' 79' ' ' ALA . . . 123.87 38.45 0.53 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 78' ' ' GLY . . . 159.77 -52.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.423 ' NZ ' ' CB ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -163.41 159.83 17.98 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -80.26 -169.89 0.89 Allowed 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.355 3.37 . . . . 0.0 109.553 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.498 HG21 ' HB3' ' A' ' 74' ' ' ASP . 35.8 p -138.83 -166.54 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.444 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.5 m -77.72 -4.77 47.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 108.304 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 88' ' ' LYS . 3.2 mm -111.53 -43.66 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.82 -62.43 1.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.975 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 17.7 t -60.21 -56.33 22.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 108.315 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.416 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 8.8 m170 -46.49 -38.5 9.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.592 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 84' ' ' ILE . 10.8 mtpt -60.06 -46.27 90.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -56.85 -40.89 76.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -62.02 -40.07 94.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.445 ' HB1' ' HB2' ' A' ' 98' ' ' LYS . . . -92.49 22.11 4.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -85.27 62.95 4.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 163.88 -58.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 96' ' ' GLU . 53.7 t0 -84.29 124.97 31.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.65 -41.74 62.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.454 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 15.0 tt0 -64.78 -27.92 69.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.909 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -72.89 -21.34 60.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.445 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 24.4 ttpp -85.3 16.55 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.08 44.35 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.881 ' HD2' HD22 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -163.33 -47.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.56 ' O ' HMC1 ' A' ' 116' ' ' HEC . 11.0 mt -88.24 -31.02 19.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.9 p -121.75 8.66 10.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.437 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.57 129.07 33.31 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.743 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 0.8 OUTLIER -69.96 -57.3 5.18 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -120.39 139.21 53.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.26 39.22 52.67 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 59.9 p -112.64 179.87 3.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 0.795 . . . . 0.0 110.061 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.44 -2.76 30.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.703 ' O ' HG22 ' A' ' 22' ' ' VAL . 86.5 m -105.66 -47.99 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 108.303 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -118.09 82.74 18.24 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 43.7 Cg_endo -92.35 70.27 0.71 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.306 3.337 . . . . 0.0 109.638 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.864 HMC3 ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 0.742 HMC3 ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 1.026 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.804 HMD1 HBD1 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.6 p . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' A' ' 1' ' ' VAL . 0.7 OUTLIER 56.96 112.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -54.49 121.12 30.75 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 3' ' ' VAL . 34.9 Cg_exo -40.22 162.7 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.288 3.325 . . . . 0.0 109.602 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -86.79 153.18 21.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 5' ' ' ALA . 0.8 OUTLIER -55.42 -167.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.74 33.81 71.63 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.441 1.088 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.424 ' O ' ' HA ' ' A' ' 23' ' ' VAL . . . -89.13 137.12 32.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -117.63 135.5 53.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.43 HG22 ' O1D' ' A' ' 116' ' ' HEC . 12.1 mt -113.36 124.72 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.599 ' HB2' HG23 ' A' ' 21' ' ' THR . 8.7 t0 -156.65 90.1 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -115.41 -25.15 8.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 71.9 mt -100.06 86.43 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.77 174.63 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -140.62 -60.32 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 153.77 -81.29 0.18 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -64.52 -47.42 78.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -140.3 -160.19 1.04 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -169.51 132.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.489 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 33.5 mt -74.74 94.27 2.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.599 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.1 m -89.65 111.64 22.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.358 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 109' ' ' CYS . 55.0 t -91.9 137.71 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 95.8 t -103.35 134.43 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.075 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.458 ' CE1' ' CE1' ' A' ' 29' ' ' HIS . 28.9 t80 -124.07 169.2 11.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.046 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -151.81 125.4 8.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -76.78 -17.26 59.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.592 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.2 p -88.26 15.81 7.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.527 HG21 HBA1 ' A' ' 115' ' ' HEC . 94.3 m -114.27 -32.13 6.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.401 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.458 ' CE1' ' CE1' ' A' ' 24' ' ' PHE . 51.3 m80 -107.01 22.34 16.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.607 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.55 -18.69 12.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.75 -2.63 58.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.566 HG12 ' CB ' ' A' ' 36' ' ' ASP . 21.6 t -112.47 129.18 68.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.834 ' O ' HMC3 ' A' ' 113' ' ' HEC . 6.2 mmtm -51.11 159.83 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.462 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 10.7 m -74.32 -40.8 61.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 108.356 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -68.46 -8.17 38.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.566 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.6 t70 -66.1 -18.09 65.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 87.2 m -131.5 -48.88 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 108.333 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -76.6 79.24 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.618 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.47 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 4.3 p80 -91.31 43.73 1.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.582 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.678 ' HG2' HMC2 ' A' ' 114' ' ' HEC . 1.4 mp0 -107.97 149.44 39.09 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 42' ' ' GLY . 10.7 Cg_endo -53.33 152.66 19.27 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.337 3.358 . . . . 0.0 109.576 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 41' ' ' PRO . . . -48.63 179.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 71.68 -64.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 45' ' ' GLN . 5.0 ptpt -105.82 23.26 14.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 44' ' ' LYS . 5.5 tt0 -38.09 -38.03 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -106.26 83.37 1.88 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.818 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -120.44 -177.06 3.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.837 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -74.91 143.97 31.76 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.2 m -78.88 -32.03 45.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.2 p -90.79 20.21 4.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 26.9 m -67.38 155.83 37.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.4 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.6 OUTLIER -55.75 154.43 6.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.44 16.13 19.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.1 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 51' ' ' THR . 13.7 m -130.07 -134.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.421 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 41.1 m-70 -90.97 45.52 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.579 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -85.98 67.8 10.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.4 mm -132.74 109.26 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 81.2 mt -102.77 61.89 0.81 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' ALA . 1.2 t0 -152.81 101.08 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.59 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 1.6 ptpp? -69.45 59.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 60' ' ' LYS . . . 170.77 59.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -120.31 177.38 5.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -135.81 83.61 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.0 p -176.31 164.95 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 65' ' ' VAL . 4.5 p -88.53 39.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.421 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 29.5 m120 -132.71 9.13 4.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.74 134.39 38.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.03 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.532 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 33.2 t-105 -93.52 15.78 15.2 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.612 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 14.5 t80 -122.23 -2.99 9.01 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.822 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 5.4 ttmt -107.39 -42.77 4.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.3 m -64.43 -8.25 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.6 t -102.17 -53.75 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -94.24 25.32 3.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 109.598 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.74 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.7 OUTLIER -77.16 99.18 5.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.47 0.92 47.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -100.64 140.15 35.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.04 -157.71 0.04 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.419 ' C ' ' N ' ' A' ' 80' ' ' LYS . . . 145.52 -171.13 26.66 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.35 -25.39 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 0.776 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' A' ' 78' ' ' GLY . 6.7 ptmt -156.5 159.96 31.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -77.32 -169.93 0.84 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.33 3.354 . . . . 0.0 109.59 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.74 HG21 ' CB ' ' A' ' 74' ' ' ASP . 28.1 p -137.51 -165.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.386 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.3 m -77.69 -6.62 54.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 0.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.42 ' O ' ' HB2' ' A' ' 88' ' ' LYS . 2.8 mm -109.99 -45.03 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.37 -61.8 2.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.04 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.9 t -58.58 -55.63 32.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 108.319 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.434 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 10.0 m170 -47.31 -33.91 6.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.59 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.472 ' HE3' ' CB ' ' A' ' 102' ' ' THR . 0.0 OUTLIER -61.85 -46.37 89.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -55.53 -41.11 72.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.557 ' HE2' HMD3 ' A' ' 115' ' ' HEC . 20.1 mmtm -64.35 -40.06 95.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.469 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -94.75 25.56 4.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.594 ' O ' ' CB ' ' A' ' 93' ' ' ASP . . . -77.93 108.65 2.66 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.594 ' CB ' ' O ' ' A' ' 92' ' ' GLY . 10.1 t0 89.27 -19.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.276 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -95.19 113.64 25.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.22 -35.49 55.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -68.01 -44.29 76.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.744 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -68.98 -16.45 63.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -86.19 24.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -142.08 47.4 1.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.349 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.731 ' HD2' HD22 ' A' ' 97' ' ' LEU . 8.8 ptpt -167.38 -47.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.593 ' O ' HMC1 ' A' ' 116' ' ' HEC . 15.3 mt -88.76 -32.59 17.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.472 ' CB ' ' HE3' ' A' ' 88' ' ' LYS . 23.9 p -121.61 13.59 10.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.436 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -70.56 130.93 21.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.779 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 1.2 m -74.1 -52.48 12.48 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.741 ' HD2' ' OXT' ' A' ' 112' ' ' SER . 1.4 tppp? -118.71 130.71 55.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.03 44.16 19.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 66.2 p -112.29 172.97 6.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.774 . . . . 0.0 110.011 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.76 -7.38 39.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.549 ' O ' HG22 ' A' ' 22' ' ' VAL . 84.7 m -102.95 -45.81 4.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 108.315 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -117.01 83.88 15.46 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.567 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 44.1 Cg_endo -91.43 71.55 0.93 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.321 3.347 . . . . 0.0 109.581 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.741 ' OXT' ' HD2' ' A' ' 105' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.956 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.834 HMC3 ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 0.837 HMC3 ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 1.003 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.836 HMC1 HBC3 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.4 ' O ' HG22 ' A' ' 1' ' ' VAL . 1.5 p . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.87 113.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -54.8 119.83 24.32 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 3' ' ' VAL . 41.4 Cg_exo -41.12 163.61 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.367 3.378 . . . . 0.0 109.568 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.19 150.27 24.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.78 -164.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.66 27.83 73.56 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.54 138.54 36.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 0.798 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.895 ' HD3' HG22 ' A' ' 23' ' ' VAL . 12.4 mmtm -114.85 133.74 55.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.404 HG22 ' O1D' ' A' ' 116' ' ' HEC . 10.5 mt -115.46 125.69 72.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.5 ' HB2' HG23 ' A' ' 21' ' ' THR . 5.6 t0 -160.94 90.51 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -115.16 -26.1 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.43 HG21 ' HD3' ' A' ' 60' ' ' LYS . 86.3 mt -97.28 98.13 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.56 168.49 4.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -151.43 -157.67 7.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.33 79.3 0.92 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 72.82 -52.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 110.313 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -76.93 -165.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.447 HD22 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER 178.32 131.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.483 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 19.8 mt -74.81 90.84 2.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.5 HG23 ' HB2' ' A' ' 11' ' ' ASP . 0.2 OUTLIER -82.88 113.88 20.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 110.399 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.2 t -98.86 146.28 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.895 HG22 ' HD3' ' A' ' 9' ' ' LYS . 84.5 t -107.9 148.82 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -142.95 132.17 23.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -114.13 124.24 51.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -73.89 -17.14 61.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.576 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.4 p -88.9 13.97 11.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.504 HG21 HBA1 ' A' ' 115' ' ' HEC . 52.8 m -111.09 -35.87 5.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.375 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -101.96 23.75 11.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.641 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -56.2 -21.7 24.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.96 -1.54 56.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.447 HG12 ' CB ' ' A' ' 36' ' ' ASP . 59.8 t -112.27 126.12 69.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.816 ' O ' HMC3 ' A' ' 113' ' ' HEC . 14.8 mttt -50.26 158.02 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.449 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 9.9 m -73.08 -41.13 64.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 108.286 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -67.99 -8.71 39.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.447 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.9 t70 -65.93 -18.49 65.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 97.8 m -130.77 -48.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 108.344 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -77.37 81.23 3.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.58 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 2.6 p80 -95.74 48.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.585 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.611 ' HG2' HMC2 ' A' ' 114' ' ' HEC . 1.4 mp0 -108.04 136.93 19.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -85.71 154.35 10.23 Favored 'Trans proline' 0 N--CA 1.446 -1.266 0 C-N-CA 124.333 3.355 . . . . 0.0 109.619 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.92 168.28 40.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.65 -19.39 26.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 0.734 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.14 44.8 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.473 ' OE1' ' CZ ' ' A' ' 46' ' ' TYR . 3.5 tt0 -53.17 -28.27 25.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.473 ' CZ ' ' OE1' ' A' ' 45' ' ' GLN . 14.6 m-85 -108.62 102.54 11.6 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.837 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.79 178.57 7.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.618 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -70.52 137.92 28.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.104 . . . . 0.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.8 m -74.98 -28.64 60.64 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.5 p -92.29 23.51 3.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.381 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 91.1 m -73.1 155.56 39.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.435 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -54.92 153.68 6.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.11 25.35 46.57 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.7 m -138.8 -132.38 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -94.02 50.86 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.585 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -90.17 64.45 6.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.4 ' CG1' ' O ' ' A' ' 66' ' ' ASN . 3.3 mm -133.13 109.47 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.9 mt -101.21 73.09 1.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -158.77 121.77 3.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 6.6 mtmm -86.76 47.04 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 60' ' ' LYS . . . 178.49 58.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -117.39 177.59 4.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -134.76 84.93 2.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.53 161.58 2.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.97 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 65' ' ' VAL . 4.4 p -83.91 8.19 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.4 ' O ' ' CG1' ' A' ' 57' ' ' ILE . 28.7 m120 -102.37 13.05 35.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.4 p -78.32 132.62 37.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.526 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 32.8 t-105 -95.19 14.78 21.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 107.973 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.606 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 10.8 t80 -121.67 -2.73 9.33 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.78 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 19.0 ttpp -106.29 -42.39 5.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.0 m -66.35 -6.42 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 75.2 t -103.78 -44.89 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -107.93 35.21 3.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.615 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.848 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.4 OUTLIER -89.37 92.9 9.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.22 -29.83 70.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -69.89 152.75 44.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -72.96 -151.32 1.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.421 ' C ' ' N ' ' A' ' 80' ' ' LYS . . . 144.46 -172.58 25.42 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.28 -27.62 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.421 ' N ' ' C ' ' A' ' 78' ' ' GLY . 3.5 ptmt -154.82 162.24 27.6 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -88.42 145.7 6.0 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.283 3.322 . . . . 0.0 109.629 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.848 HG21 ' HB2' ' A' ' 74' ' ' ASP . 25.6 p -91.05 -157.86 0.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.423 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 87' ' ' HIS . 3.9 m -75.37 -53.67 8.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 108.324 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.631 HD11 HMC2 ' A' ' 116' ' ' HEC . 0.8 OUTLIER -64.08 -38.25 81.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -53.49 -61.43 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.017 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 10.4 t -64.11 -59.27 4.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 108.315 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.453 ' HB2' ' O ' ' A' ' 83' ' ' CYS . 12.7 m170 -43.94 -38.42 3.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.572 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 84' ' ' ILE . 3.7 mmtm -59.24 -50.53 73.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -57.72 -39.94 78.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -59.67 -40.67 88.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.53 ' HB1' ' HB2' ' A' ' 98' ' ' LYS . . . -93.62 22.22 5.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -88.17 61.71 3.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 164.62 -57.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.446 0.733 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.439 ' HB3' ' CB ' ' A' ' 97' ' ' LEU . 56.2 t0 -84.34 126.01 32.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -74.13 -42.04 60.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.434 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 6.8 tp10 -64.82 -26.9 68.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.896 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER -73.83 -22.76 59.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.53 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 10.3 ttmm -85.48 22.69 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -132.95 50.45 2.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.421 ' HD2' HD22 ' A' ' 97' ' ' LEU . 10.5 ptpt -173.04 -41.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.609 HD11 ' CGD' ' A' ' 115' ' ' HEC . 8.2 mt -92.23 -32.32 15.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.468 ' O ' ' C ' ' A' ' 103' ' ' GLY . 6.1 p -133.14 9.81 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.424 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 104' ' ' CYS . . . -31.46 -54.36 0.32 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.5 OUTLIER 89.7 -41.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -132.66 96.87 3.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 89.03 46.35 4.5 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 54.5 p -104.65 -170.58 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 110.001 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.06 2.11 25.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.339 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.454 ' O ' ' HD3' ' A' ' 111' ' ' PRO . 93.2 m -112.92 -49.66 2.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 108.274 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -116.93 84.45 16.04 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.578 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 43.4 Cg_endo -92.33 64.09 0.8 Allowed 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.376 3.384 . . . . 0.0 109.578 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.0 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.816 HMC3 ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 0.697 HBB3 HMB1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 1.034 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.837 HMD1 HBD1 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.413 ' H3 ' HMB3 ' A' ' 113' ' ' HEC . 1.7 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 173.59 90.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.878 HG22 ' HB3' ' A' ' 26' ' ' HIS . 0.4 OUTLIER -62.01 113.95 10.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.545 ' HD2' ' CD2' ' A' ' 26' ' ' HIS . 39.5 Cg_exo -42.63 164.38 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.363 3.376 . . . . 0.0 109.628 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.71 149.41 22.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 7' ' ' GLY . 1.7 t70 -55.81 168.31 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' N ' ' CG ' ' A' ' 6' ' ' ASP . . . 73.66 46.67 23.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.06 115.15 28.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 0.9 OUTLIER -89.29 136.84 32.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.502 HD11 ' HB2' ' A' ' 24' ' ' PHE . 11.9 mt -119.01 123.41 71.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.569 ' HB2' HG23 ' A' ' 21' ' ' THR . 10.2 t0 -158.24 95.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -117.73 -27.95 6.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.0 mt -100.57 101.76 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.55 134.01 33.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 170.73 -165.53 38.75 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.541 1.151 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 59.06 -167.74 7.02 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.33 -49.06 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' A' ' 19' ' ' ASN . 6.4 pttp -144.03 -59.54 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER 161.75 124.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.248 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 59.3 mt -74.79 133.48 41.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.225 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.569 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.7 m -121.95 111.84 17.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.389 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.669 HG22 ' O ' ' A' ' 109' ' ' CYS . 60.7 t -91.81 138.09 20.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.1 t -102.85 126.66 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.57 ' CE1' ' CE1' ' A' ' 29' ' ' HIS . 17.5 t80 -119.5 178.94 4.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -168.95 126.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.878 ' HB3' HG22 ' A' ' 3' ' ' VAL . 10.8 m80 -74.39 -15.59 60.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.57 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.01 10.4 14.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.516 HG21 HBA1 ' A' ' 115' ' ' HEC . 12.3 m -110.33 -31.2 7.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.38 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.57 ' CE1' ' CE1' ' A' ' 24' ' ' PHE . 40.5 m80 -110.2 20.39 17.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.636 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -18.38 14.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.518 ' OD1' HG23 ' A' ' 32' ' ' VAL . 1.5 p-10 -86.68 -2.64 58.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.523 HG12 ' CB ' ' A' ' 36' ' ' ASP . 15.0 t -109.42 133.31 55.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.882 ' O ' HMC3 ' A' ' 113' ' ' HEC . 10.8 mttt -53.56 159.96 1.39 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.474 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 5.3 m -75.38 -40.3 58.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 108.323 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.3 p30 -66.54 -9.87 39.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.523 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.2 t70 -64.6 -18.61 65.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.5 m -134.93 -48.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 108.323 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -74.06 73.39 1.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.611 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.452 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 3.6 p80 -88.51 43.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.633 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.681 ' HG2' HMC2 ' A' ' 114' ' ' HEC . 1.4 mp0 -107.61 146.0 32.46 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.249 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 42' ' ' GLY . 22.2 Cg_endo -59.21 156.12 36.6 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.313 3.342 . . . . 0.0 109.595 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 41' ' ' PRO . . . -45.92 173.54 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 42' ' ' GLY . 1.1 m-20 71.53 -61.63 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.776 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -112.48 25.98 10.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -57.23 -22.16 39.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -121.29 67.7 0.88 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.859 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -114.59 -177.18 3.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.746 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -70.28 150.08 48.12 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.1 m -81.19 -30.62 34.26 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.2 p -89.42 20.15 4.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 24.3 m -67.96 155.87 38.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.412 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.4 OUTLIER -56.32 154.01 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.8 18.86 26.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 16.2 m -131.67 -132.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.418 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 47.2 m-70 -93.43 47.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.579 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -87.37 63.9 7.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.491 ' CG2' ' OD1' ' A' ' 59' ' ' ASP . 3.2 mm -131.56 108.52 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 67.3 mt -99.24 9.58 43.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.491 ' OD1' ' CG2' ' A' ' 57' ' ' ILE . 0.5 OUTLIER -99.28 69.69 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.635 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 0.5 OUTLIER -42.21 142.18 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 60' ' ' LYS . . . 80.29 47.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.351 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -106.48 174.79 5.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.97 82.81 2.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -176.15 161.64 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.8 p -88.8 38.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 29.5 m120 -133.41 9.88 4.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.74 134.83 37.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.519 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 32.5 t-105 -91.81 13.33 18.64 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.626 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 10.4 t80 -119.42 -9.2 9.92 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.823 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 5.3 ttmt -100.16 -44.73 5.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.7 m -64.39 -7.99 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.3 t -102.9 -52.05 8.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -96.04 25.66 4.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.615 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.736 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.5 OUTLIER -78.31 109.57 12.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.77 -6.54 57.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -86.04 153.45 22.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.92 169.41 18.86 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.522 1.138 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.27 -82.39 0.13 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.82 -47.76 28.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.439 ' HZ3' ' CG ' ' A' ' 39' ' ' HIS . 8.8 ptmt -157.67 159.49 30.58 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -77.01 -172.39 1.42 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.303 3.335 . . . . 0.0 109.588 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.736 HG21 ' CB ' ' A' ' 74' ' ' ASP . 30.0 p -137.14 -165.78 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.7 m -77.82 -2.57 37.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 108.306 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 88' ' ' LYS . 3.4 mm -113.7 -44.34 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.58 -61.73 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.033 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 8.2 t -58.9 -57.33 13.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 108.268 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.429 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 9.0 m170 -46.62 -39.28 10.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.604 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' ILE . 1.3 mmtt -60.51 -46.04 91.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -58.06 -41.19 82.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.656 ' HE2' HMD3 ' A' ' 115' ' ' HEC . 19.0 mmtm -61.16 -36.39 79.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.51 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -98.65 22.56 9.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -86.66 56.25 4.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 165.69 -57.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 109.257 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 96' ' ' GLU . 58.2 t0 -78.35 122.32 25.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.23 -39.46 68.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.427 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 31.1 mt-10 -66.24 -28.59 68.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.306 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.813 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -74.06 -21.17 60.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.23 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.427 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 2.3 ttpt -85.77 23.2 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -138.6 47.37 1.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 107' ' ' SER . 6.2 ptmt -167.32 -42.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.658 ' O ' HMC1 ' A' ' 116' ' ' HEC . 12.3 mt -91.65 -33.9 14.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 103' ' ' GLY . 19.3 p -127.88 8.48 6.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.372 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.547 ' O ' ' CB ' ' A' ' 104' ' ' CYS . . . -33.06 -57.67 0.5 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.547 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 1.7 t 92.51 -39.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.28 105.49 7.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.63 44.01 13.71 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 40.0 p -102.28 -172.17 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.794 . . . . 0.0 110.044 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -78.46 0.25 26.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.669 ' O ' HG22 ' A' ' 22' ' ' VAL . 88.2 m -108.68 -48.68 3.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 108.252 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -118.04 83.97 20.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.648 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 47.9 Cg_endo -92.71 68.1 0.64 Allowed 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.304 3.336 . . . . 0.0 109.589 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.952 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.908 HMD1 HBD1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 0.746 HMC3 ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 0.994 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.82 HMD1 HBD1 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.7 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 1' ' ' VAL . 0.4 OUTLIER 57.63 111.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -54.91 121.32 34.42 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' VAL . 41.2 Cg_exo -40.86 163.88 0.02 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.368 3.379 . . . . 0.0 109.57 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.57 152.39 22.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -56.23 -165.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.37 28.56 72.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.443 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -86.34 136.03 33.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 0.758 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.546 ' HG2' HG22 ' A' ' 23' ' ' VAL . 9.8 mtmm -117.07 136.34 53.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.619 HG22 ' O1D' ' A' ' 116' ' ' HEC . 7.5 mt -112.77 125.47 70.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.555 ' HB2' HG23 ' A' ' 21' ' ' THR . 6.5 t70 -159.78 91.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -115.2 -27.04 7.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.498 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 44.3 mt -97.08 102.55 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 13' ' ' ILE . . . 72.44 179.95 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.408 ' C ' ' OD1' ' A' ' 19' ' ' ASN . . . -168.98 -140.93 3.06 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.151 . . . . 0.0 110.948 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.71 -130.51 10.25 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -114.1 -31.7 6.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 110.252 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.17 46.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -105.17 134.76 47.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.489 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 14.2 mt -74.17 104.33 4.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.555 HG23 ' HB2' ' A' ' 11' ' ' ASP . 2.2 m -102.91 113.0 26.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 109' ' ' CYS . 72.6 t -93.97 129.67 43.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.546 HG22 ' HG2' ' A' ' 9' ' ' LYS . 57.6 t -95.03 143.67 11.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.457 ' HB2' HD11 ' A' ' 10' ' ' ILE . 64.1 t80 -133.1 147.77 52.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -132.26 124.02 28.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.355 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -74.74 -17.54 60.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.616 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.0 p -88.04 13.95 10.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.537 HG21 HBA1 ' A' ' 115' ' ' HEC . 30.4 m -110.8 -35.67 5.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.2 m80 -102.42 23.61 11.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.6 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -19.04 13.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -88.08 0.99 55.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.475 HG12 ' CB ' ' A' ' 36' ' ' ASP . 43.1 t -115.73 131.39 68.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.856 ' O ' HMC3 ' A' ' 113' ' ' HEC . 6.5 mmtm -53.59 159.66 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.487 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 10.4 m -74.54 -42.15 59.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 108.256 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.9 p30 -67.04 -9.28 37.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.475 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.5 t70 -65.11 -18.66 65.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 91.7 m -130.07 -48.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 108.268 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -76.62 78.25 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.569 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.494 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 3.1 p80 -90.41 48.13 1.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.607 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.679 ' HG2' HMC2 ' A' ' 114' ' ' HEC . 1.5 mp0 -109.2 171.09 4.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.488 ' CD ' ' HB3' ' A' ' 40' ' ' GLN . 12.0 Cg_exo -73.32 146.23 39.82 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.341 3.361 . . . . 0.0 109.601 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' ASP . . . -40.58 -46.28 3.65 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLY . 0.9 OUTLIER -39.56 -53.22 2.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.272 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.919 ' HB2' ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -118.35 51.42 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.477 ' HG2' ' CE2' ' A' ' 46' ' ' TYR . 13.4 tp60 -38.1 -37.47 0.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.262 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.477 ' CE2' ' HG2' ' A' ' 45' ' ' GLN . 41.8 m-85 -130.32 88.37 2.63 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.804 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.919 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -118.82 179.36 4.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.827 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -74.58 146.71 36.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.9 m -79.9 -32.07 40.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.6 p -89.11 19.62 4.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.9 m -67.21 156.27 36.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.403 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.9 OUTLIER -56.45 153.53 9.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.42 17.41 25.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 14.9 m -130.13 -133.44 0.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.409 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 46.4 m-70 -91.82 47.28 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.591 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -85.12 65.56 9.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.7 mm -132.63 109.01 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 26.4 mt -102.76 21.94 14.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.17 76.41 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.563 ' HD2' ' CE2' ' A' ' 69' ' ' TYR . 4.9 ttpm? -45.56 154.53 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 60' ' ' LYS . . . 68.35 43.06 1.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -103.81 176.55 5.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.68 84.55 2.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.24 158.78 2.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.95 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' ' 65' ' ' VAL . 4.6 p -82.55 6.45 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 30.7 m120 -101.06 9.25 42.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.5 p -74.21 134.72 42.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.956 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.54 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 29.0 t-105 -97.37 15.45 22.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.019 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.653 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 7.8 t80 -121.36 -9.16 9.09 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.817 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.557 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 3.6 ttmm -100.0 -44.22 6.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.7 m -63.46 -9.7 5.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.4 t -99.36 -56.5 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -91.69 24.15 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.586 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.754 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.8 OUTLIER -76.33 130.68 38.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.73 -1.01 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.463 ' HE2' ' CA ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -93.54 172.96 7.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.04 -177.08 14.72 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.721 ' O ' ' HB2' ' A' ' 79' ' ' ALA . . . 128.72 41.07 0.27 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.721 ' HB2' ' O ' ' A' ' 78' ' ' GLY . . . 160.05 -53.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 0.739 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.425 ' HZ2' ' C3A' ' A' ' 114' ' ' HEC . 3.8 ptmm? -163.86 159.14 17.01 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -77.45 -172.29 1.41 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.28 3.32 . . . . 0.0 109.621 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.754 HG21 ' CB ' ' A' ' 74' ' ' ASP . 35.0 p -137.48 -165.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.9 m -77.53 -5.42 50.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 108.341 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 88' ' ' LYS . 8.7 mm -110.0 -43.71 5.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.85 -62.0 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.6 t -59.2 -58.06 10.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 108.28 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.47 ' CE1' HBC1 ' A' ' 116' ' ' HEC . 11.6 m170 -47.09 -39.21 12.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.658 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 84' ' ' ILE . 10.0 mmtm -59.95 -48.27 82.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -56.08 -40.33 73.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -62.22 -43.09 99.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.597 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -93.09 27.15 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.592 ' O ' ' CB ' ' A' ' 93' ' ' ASP . . . -76.09 109.06 2.69 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.592 ' CB ' ' O ' ' A' ' 92' ' ' GLY . 2.3 t70 89.09 -19.54 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 0.795 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -95.21 109.06 21.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -74.05 -34.97 64.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -67.38 -41.6 84.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.988 HD22 ' HD2' ' A' ' 100' ' ' LYS . 0.3 OUTLIER -72.57 -13.87 61.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -86.03 23.98 1.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -142.76 49.89 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.988 ' HD2' HD22 ' A' ' 97' ' ' LEU . 4.2 ptpp? -168.71 -45.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.609 HD11 ' CGD' ' A' ' 115' ' ' HEC . 12.8 mt -95.36 -27.39 15.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.46 ' HA ' HMC2 ' A' ' 116' ' ' HEC . 16.1 p -126.49 5.68 6.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.415 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.58 113.63 6.05 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.769 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 1.1 m -54.92 -53.38 56.26 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.3 137.85 54.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.92 42.41 30.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.13 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.7 p -115.91 177.53 4.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.751 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.98 -4.09 33.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.519 ' O ' HG22 ' A' ' 22' ' ' VAL . 87.5 m -104.72 -47.38 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 108.32 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -117.59 83.43 17.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.626 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 43.6 Cg_endo -92.02 71.05 0.78 Allowed 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.273 3.315 . . . . 0.0 109.578 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 1.136 ' CGD' HMD1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 0.827 HMC3 ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 1.03 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.819 HMC1 HBC3 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 t70 60.19 107.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -54.5 120.25 25.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -40.73 162.99 0.03 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.323 3.349 . . . . 0.0 109.579 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -92.76 163.8 13.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -57.6 -158.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' N ' ' OD2' ' A' ' 6' ' ' ASP . . . 66.09 21.52 69.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.46 106.39 16.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 0.74 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -93.48 131.99 38.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.7 mt -109.95 120.56 61.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.454 ' HB2' HG23 ' A' ' 21' ' ' THR . 2.5 t70 -154.01 89.2 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -116.67 -26.79 6.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.556 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 62.8 mt -95.16 103.94 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 13' ' ' ILE . . . 75.4 -177.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.401 ' HA2' ' HB3' ' A' ' 19' ' ' ASN . . . 165.23 120.5 0.52 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.44 1.088 . . . . 0.0 110.986 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.62 65.51 0.02 OUTLIER Glycine 0 CA--C 1.531 1.031 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 71.38 -54.08 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.763 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -85.61 50.14 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.401 ' HB3' ' HA2' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -103.42 131.61 50.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 109.343 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.516 HD12 ' O2A' ' A' ' 116' ' ' HEC . 13.4 mt -80.74 75.26 7.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.454 HG23 ' HB2' ' A' ' 11' ' ' ASP . 0.2 OUTLIER -74.35 113.48 11.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 110.422 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 109' ' ' CYS . 56.3 t -99.22 131.34 46.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.244 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.3 t -94.91 147.07 6.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -141.22 150.31 42.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.51 126.89 32.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -73.44 -14.54 61.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.625 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.6 p -88.43 11.56 16.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.53 HG21 HBA1 ' A' ' 115' ' ' HEC . 91.4 m -109.22 -34.11 6.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -105.64 23.19 14.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.644 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -20.17 20.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.33 -1.99 58.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.464 HG12 ' CB ' ' A' ' 36' ' ' ASP . 41.9 t -111.22 129.89 65.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.882 ' O ' HMC3 ' A' ' 113' ' ' HEC . 5.1 mttp -52.07 160.32 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.469 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 10.2 m -75.54 -41.29 55.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 108.328 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -67.85 -8.92 40.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.464 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.6 t70 -65.84 -18.44 65.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 95.3 m -131.39 -48.58 0.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 108.322 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -78.05 73.39 4.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.616 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 39' ' ' HIS . 7.4 p80 -83.75 60.8 5.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.61 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.557 ' OE1' HBC2 ' A' ' 114' ' ' HEC . 61.1 mm-40 -134.62 152.01 76.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 42' ' ' GLY . 27.2 Cg_endo -55.76 152.54 34.57 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.321 3.348 . . . . 0.0 109.592 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 44' ' ' LYS . . . -49.05 179.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.91 -66.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.773 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.632 ' HG2' ' HB2' ' A' ' 47' ' ' ALA . 1.1 ttmt -105.5 22.23 15.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -50.71 -37.88 43.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 110.268 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -103.6 83.86 2.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.817 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.632 ' HB2' ' HG2' ' A' ' 44' ' ' LYS . . . -123.72 -175.64 3.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.766 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -75.21 144.44 32.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.9 m -79.21 -31.79 43.81 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.353 -0.981 . . . . 0.0 108.353 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.6 p -89.04 19.67 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.44 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 31.5 m -67.37 156.17 37.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -56.3 152.88 10.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.07 21.0 36.8 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 19.0 m -133.45 -133.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.406 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 53.4 m-70 -91.29 48.35 1.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.608 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -87.89 65.02 8.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.503 ' CG2' ' OD2' ' A' ' 59' ' ' ASP . 3.6 mm -132.49 109.96 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 67.0 mt -100.6 8.44 43.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.503 ' OD2' ' CG2' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -96.28 69.68 2.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.607 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 6.5 pttt -44.51 142.64 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 60' ' ' LYS . . . 78.19 44.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -108.66 178.11 4.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -119.68 85.33 2.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.42 152.99 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.951 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 65' ' ' VAL . 3.7 p -79.32 2.04 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 29.3 m120 -95.77 11.13 34.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 p -76.16 134.36 39.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.951 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.522 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 33.2 t-105 -95.22 15.06 20.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 108.051 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.633 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 13.6 t80 -121.06 -8.18 9.35 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.842 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.544 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 4.8 ttmm -99.26 -43.88 6.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.6 m -64.82 -8.96 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 88.0 t -103.08 -46.14 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -106.1 34.31 3.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.617 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.857 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.4 OUTLIER -84.63 136.42 33.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.83 11.77 3.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 77' ' ' GLY . 9.6 ttmt -105.79 53.62 0.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . 33.8 -142.34 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.415 ' C ' ' N ' ' A' ' 80' ' ' LYS . . . 129.24 -178.82 17.1 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.1 -24.31 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.415 ' N ' ' C ' ' A' ' 78' ' ' GLY . 6.9 ptmt -155.49 159.83 31.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -76.17 179.51 6.27 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.322 3.348 . . . . 0.0 109.641 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.857 HG21 ' HB2' ' A' ' 74' ' ' ASP . 40.3 p -129.59 -163.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.389 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.5 m -77.84 -2.04 34.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 108.318 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 88' ' ' LYS . 19.7 mm -112.56 -44.51 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.32 -59.8 4.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 7.8 t -62.03 -58.6 7.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 108.276 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -46.84 -35.93 6.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.544 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 84' ' ' ILE . 3.1 mmtp -62.52 -49.91 73.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -57.4 -38.97 75.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -60.04 -43.84 95.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.94 -80.37 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.9 -122.49 5.86 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.47 1.106 . . . . 0.0 110.964 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -35.96 60.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 0.79 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -54.57 102.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -69.52 -34.66 74.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -65.2 -26.76 68.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -89.22 -24.27 22.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -85.41 21.84 1.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.7 mmtm -137.73 43.75 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 107' ' ' SER . 5.2 ptmt -163.53 -47.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.721 HD11 ' CGD' ' A' ' 115' ' ' HEC . 16.1 mt -89.81 -29.28 18.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.44 ' HA ' HMC2 ' A' ' 116' ' ' HEC . 18.9 p -122.73 2.83 9.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.403 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.89 124.76 36.65 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.768 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 1.5 m -70.74 -47.09 61.53 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -124.32 129.59 51.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.71 44.66 14.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 110.966 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 95.2 p -112.62 174.49 5.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 110.019 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.67 -8.5 42.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.582 ' O ' HG22 ' A' ' 22' ' ' VAL . 92.3 m -102.03 -46.05 4.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 108.295 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -117.03 83.8 15.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.612 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 44.7 Cg_endo -91.32 71.1 1.0 Allowed 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.296 3.331 . . . . 0.0 109.548 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.031 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.943 HMD1 HBD1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 0.766 HMC3 ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 1.018 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.833 HMD1 HBD1 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 61.2 118.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.42 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 0.4 OUTLIER -54.28 119.84 22.45 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 3' ' ' VAL . 42.3 Cg_exo -41.54 164.19 0.03 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.298 3.332 . . . . 0.0 109.582 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.8 150.29 25.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -162.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.55 29.54 72.92 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 111.062 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.92 135.71 37.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -107.49 129.18 54.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.891 HG22 ' O1D' ' A' ' 116' ' ' HEC . 7.8 mt -119.09 120.36 63.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.535 ' HB2' HG23 ' A' ' 21' ' ' THR . 10.3 t70 -164.11 93.85 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -116.0 -25.86 7.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.6 mt -97.45 101.81 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.34 90.57 4.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.05 -160.04 9.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.545 1.153 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.38 -174.21 27.72 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -39.4 -49.49 2.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 0.773 . . . . 0.0 110.293 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -143.92 -48.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 170.4 110.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.476 ' HB2' ' CGA' ' A' ' 116' ' ' HEC . 15.9 mt -74.99 117.79 17.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.535 HG23 ' HB2' ' A' ' 11' ' ' ASP . 0.6 OUTLIER -109.25 116.91 32.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 109' ' ' CYS . 69.3 t -101.8 141.23 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.7 t -106.73 151.58 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -141.15 144.8 35.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -127.64 124.14 37.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -73.9 -18.36 60.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.614 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.8 p -88.47 14.44 9.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.516 HG21 HBA1 ' A' ' 115' ' ' HEC . 24.0 m -108.49 -37.44 5.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -100.98 24.22 9.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.65 -22.02 20.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.81 -0.62 55.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.508 HG12 ' CB ' ' A' ' 36' ' ' ASP . 33.8 t -114.36 133.27 60.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.843 ' O ' HMC3 ' A' ' 113' ' ' HEC . 26.2 mmtt -55.57 161.85 1.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.488 ' HA ' ' CHC' ' A' ' 113' ' ' HEC . 9.0 m -75.47 -43.45 49.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 108.322 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -64.63 -10.27 25.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.508 ' CB ' HG12 ' A' ' 32' ' ' VAL . 4.2 t70 -64.57 -17.95 64.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.448 ' HA ' ' NZ ' ' A' ' 80' ' ' LYS . 90.3 m -130.75 -49.86 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 108.321 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -74.97 57.3 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.618 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.523 ' CG ' ' N ' ' A' ' 40' ' ' GLN . 15.2 p80 -56.56 -58.76 6.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.616 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.523 ' N ' ' CG ' ' A' ' 39' ' ' HIS . 34.3 tt0 -111.38 125.94 29.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.414 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 30.6 Cg_endo -86.35 119.25 1.7 Allowed 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.295 3.33 . . . . 0.0 109.604 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.453 ' HA2' HBC3 ' A' ' 114' ' ' HEC . . . -66.9 -84.76 0.09 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -86.95 -34.43 19.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -147.4 174.2 11.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.414 ' HA ' ' HB3' ' A' ' 41' ' ' PRO . 1.9 tp60 -37.84 -32.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.497 ' CZ ' HMB3 ' A' ' 113' ' ' HEC . 57.7 m-85 -126.73 121.14 31.18 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.857 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.64 -175.94 4.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.617 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -78.7 150.46 34.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 18.3 m -80.32 -31.0 38.18 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 16.4 p -89.47 22.91 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.434 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 28.2 m -70.42 155.61 40.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.375 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.96 153.37 8.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.55 24.53 39.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 20.0 m -136.78 -130.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.444 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 52.3 m-70 -94.39 49.5 1.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.601 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -89.46 50.54 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.565 ' O ' HD23 ' A' ' 58' ' ' LEU . 1.6 mm -119.53 141.48 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 57' ' ' ILE . 36.3 mt -121.2 91.89 3.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.462 ' CG ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -169.44 165.83 10.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.548 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -77.51 57.01 1.49 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.682 ' HB2' ' HD1' ' A' ' 69' ' ' TYR . . . 74.14 78.22 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 26.9 t0 -68.39 176.82 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -80.67 72.89 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.05 155.25 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 65' ' ' VAL . 4.9 p -88.48 40.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.502 ' O ' ' CG1' ' A' ' 57' ' ' ILE . 31.1 m120 -133.51 9.96 4.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.42 140.92 45.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.991 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.511 ' CG ' ' O ' ' A' ' 68' ' ' TRP . 37.9 t-105 -95.42 14.35 22.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 108.027 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.682 ' HD1' ' HB2' ' A' ' 61' ' ' ALA . 5.6 t80 -120.82 -15.23 8.39 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.807 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 13.9 ttmm -94.92 -43.94 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.1 m -64.59 -8.23 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.2 t -104.59 -53.17 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -95.07 29.58 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.613 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.747 ' CB ' HG21 ' A' ' 82' ' ' THR . 0.3 OUTLIER -80.02 107.49 12.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.61 0.24 57.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -98.82 149.24 23.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.21 -162.24 0.54 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.531 1.145 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' ALA . . . 147.34 -171.87 27.88 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 78' ' ' GLY . . . -39.75 -44.85 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.448 ' NZ ' ' HA ' ' A' ' 37' ' ' CYS . 1.5 pttt -149.19 149.11 28.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.404 ' CB ' ' HB2' ' A' ' 85' ' ' SER . 13.7 Cg_endo -56.51 -173.03 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.348 3.366 . . . . 0.0 109.582 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.747 HG21 ' CB ' ' A' ' 74' ' ' ASP . 41.4 p -130.95 -163.98 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.5 m -78.44 -3.44 43.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.289 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 88' ' ' LYS . 4.4 mm -111.49 -44.38 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.404 ' HB2' ' CB ' ' A' ' 81' ' ' PRO . 0.7 OUTLIER -53.03 -60.48 3.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.002 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.5 t -61.41 -58.44 8.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 108.286 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.421 ' ND1' ' HB3' ' A' ' 101' ' ' LEU . 12.4 m170 -46.88 -35.9 6.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 84' ' ' ILE . 2.9 mtpt -62.82 -49.33 75.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -56.65 -40.43 75.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -61.46 -40.6 95.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.468 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -94.53 22.91 5.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.339 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -85.78 60.62 4.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 166.23 -57.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.767 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 96' ' ' GLU . 54.6 t0 -82.79 125.0 30.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -73.58 -41.65 62.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.443 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 6.4 tp10 -65.0 -27.08 68.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.264 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.892 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER -74.6 -20.99 59.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -85.38 20.12 2.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.21 44.71 2.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.769 ' HD2' HD22 ' A' ' 97' ' ' LEU . 8.4 ptpt -163.11 -47.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.699 ' O ' HMC1 ' A' ' 116' ' ' HEC . 10.4 mt -90.09 -33.01 16.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 29.3 p -119.55 5.23 11.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.1 115.71 8.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.729 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 1.2 m -59.44 -51.02 71.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.6 141.01 52.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.27 40.04 56.33 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 100' ' ' LYS . 30.7 p -114.21 -178.7 3.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.779 . . . . 0.0 110.035 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.18 -5.46 44.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.786 ' O ' HG22 ' A' ' 22' ' ' VAL . 85.0 m -103.45 -46.76 4.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.477 1.111 . . . . 0.0 108.264 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -117.96 83.25 18.62 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.592 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 43.9 Cg_endo -92.21 70.5 0.75 Allowed 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.365 3.377 . . . . 0.0 109.607 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.017 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.843 HMC3 ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 0.617 HMC3 ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 1.043 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.891 ' O1D' HG22 ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_