data_2nsv_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 2nsv _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 2' ' ' PRO . . . . . 0.57 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -84.93 -40.91 16.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -81.59 -15.5 54.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.57 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -115.96 -156.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 107.97 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.695 ' CD2' ' CB ' ' A' ' 16' ' ' SER . 23.5 t80 58.02 125.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.5 p -116.6 98.38 51.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.362 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.02 0.1 9.33 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.51 1.795 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -89.52 -9.87 48.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.0 t -141.08 46.2 1.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.43 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 36' ' ' SER . 1.2 t -157.92 157.02 32.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.286 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.84 -41.5 95.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.412 ' CZ ' HG21 ' A' ' 22' ' ' THR . 9.9 m-85 -84.79 134.21 34.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -96.11 6.44 66.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.508 ' C ' ' CZ ' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -119.11 139.73 51.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 0.75 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.695 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -77.39 -30.31 53.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -68.99 -66.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 t -55.22 -35.91 65.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 110.398 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -61.44 -62.16 2.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.421 ' NE1' HG21 ' A' ' 24' ' ' THR . 1.9 t-105 -54.72 -50.55 68.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 107.989 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.37 -58.59 6.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.412 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 42.3 m -59.53 -17.98 36.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.44 -37.94 22.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 108.315 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.421 HG21 ' NE1' ' A' ' 20' ' ' TRP . 5.0 p -83.82 51.46 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 22' ' ' THR . 24.7 p -136.93 161.17 63.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.389 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 122.71 7.36 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.548 1.815 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.31 -157.84 11.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -95.23 -38.9 10.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 0.775 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.1 p -116.24 51.04 0.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.463 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.4 t -72.57 -46.31 54.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 108.306 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.522 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 19.3 t80 -92.19 -11.5 35.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -86.68 -29.99 22.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.9 p -65.65 -41.03 93.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 108.329 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 43.1 m -55.45 -33.91 64.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 108.299 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.6 t -78.49 0.58 25.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.401 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -138.26 16.86 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.013 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.55 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -142.11 17.06 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 108.284 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.575 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 47.3 m-85 -157.47 174.44 15.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 39' ' ' ASP . 3.3 t0 -104.8 -80.27 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.404 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 10.0 p -130.57 -47.51 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.533 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 12.3 t -74.5 -46.47 42.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.575 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -59.58 -37.51 92.32 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.418 1.074 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.436 ' N ' ' HB3' ' A' ' 38' ' ' PHE . 16.1 tt0 -78.86 -49.41 12.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.402 ' CG ' ' HA ' ' A' ' 41' ' ' VAL . 2.1 pp0? -65.68 -26.2 67.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.253 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 41' ' ' VAL . . . -84.47 -33.41 23.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 41.0 t -81.93 -22.07 36.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 108.28 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.522 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 19.1 mt-30 -59.4 -57.96 10.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.0 mtt -69.53 -38.71 77.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.7 t -64.97 -49.08 71.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -48.2 114.33 0.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.07 53.62 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 108.236 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.596 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.994 -0.425 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -58.28 -35.04 71.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.541 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.5 OUTLIER -81.06 -16.49 53.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.596 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -121.66 -155.36 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.526 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 21.2 t80 56.87 117.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.419 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 50.4 p -110.81 98.07 36.33 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.4 Cg_endo -74.94 -3.6 14.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.49 -4.04 59.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.419 ' CG2' ' OG1' ' A' ' 7' ' ' THR . 9.1 t -145.07 39.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 110.431 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -148.47 -179.85 7.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.246 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.74 -25.46 14.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 109.238 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.522 ' CZ ' HG22 ' A' ' 22' ' ' THR . 15.2 m-30 -84.78 141.35 30.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.17 -16.22 28.31 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -104.3 142.99 33.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 0.742 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.526 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 82.7 p -83.96 -39.05 20.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.951 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -64.64 -51.85 60.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -67.56 -33.8 75.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.419 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -60.78 -58.84 6.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.418 ' CZ3' ' HZ3' ' A' ' 5' ' ' TRP . 2.0 t-105 -55.04 -52.96 61.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 107.987 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.9 -37.8 69.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.368 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.522 HG22 ' CZ ' ' A' ' 13' ' ' TYR . 15.4 m -75.31 -18.69 59.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.48 -35.84 14.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.418 HG22 ' NE1' ' A' ' 20' ' ' TRP . 1.9 p -84.57 56.32 3.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.3 p -137.57 158.47 71.86 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.398 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 122.59 7.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.64 -144.45 4.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.75 -42.77 3.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.7 p -109.28 41.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.351 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.74 -61.72 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 108.312 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.57 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 11.2 t80 -73.58 -13.94 61.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.4 m -75.83 -40.82 54.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.7 p -74.75 -17.54 60.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 108.288 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.8 m -65.97 -11.09 45.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 108.289 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.1 t -114.59 1.15 14.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.92 -41.9 4.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.003 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.597 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -93.9 25.88 3.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 108.295 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 22.1 m-85 -157.82 171.49 20.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.431 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 12.2 t0 -112.67 -104.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.46 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 7.5 p -93.79 -54.02 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.5 ' O ' ' N ' ' A' ' 45' ' ' ALA . 74.2 t -71.48 -65.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.589 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -36.1 -31.47 0.04 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 41' ' ' VAL . 1.5 tm-20 -79.72 -59.78 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.742 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.09 -18.89 64.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.82 -41.65 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.564 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 42.1 t -74.18 -29.76 61.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 108.251 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.57 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 3.1 mt-30 -55.45 -52.32 64.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.432 ' HG3' ' N ' ' A' ' 49' ' ' SER . 18.5 ptm -65.68 -32.25 73.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.432 ' N ' ' HG3' ' A' ' 48' ' ' MET . 0.8 OUTLIER -91.27 4.36 52.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -63.04 82.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -93.02 67.12 4.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.247 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 108.299 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.575 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 110.956 -0.44 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -57.67 -29.59 64.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.512 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 9.3 t0 -86.18 -16.63 37.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.575 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -123.09 -154.21 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.011 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.673 ' CE1' ' CB ' ' A' ' 19' ' ' ALA . 31.3 t80 56.89 116.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.9 p -110.06 99.25 38.52 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.443 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -11.13 21.48 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.459 1.768 . . . . 0.0 111.037 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.32 -6.99 53.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.167 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.2 t -144.33 39.86 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.445 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.479 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -152.77 163.88 38.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 108.304 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.465 ' C ' ' CD1' ' A' ' 13' ' ' TYR . . . -97.43 52.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.479 ' CD1' ' SG ' ' A' ' 11' ' ' CYS . 21.1 m-85 -145.97 143.09 29.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.25 -20.23 16.35 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -117.05 147.23 42.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 0.792 . . . . 0.0 109.249 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.522 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 92.7 p -80.73 -32.8 35.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -64.81 -49.02 72.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 t -66.55 -34.92 78.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.673 ' CB ' ' CE1' ' A' ' 6' ' ' PHE . . . -60.27 -60.62 3.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.544 ' CE3' ' CZ ' ' A' ' 38' ' ' PHE . 2.3 t-105 -55.68 -46.85 77.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 107.996 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.91 -60.68 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.368 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 m -58.26 -19.27 32.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.407 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.419 ' SG ' ' C ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -80.0 -41.23 26.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 108.33 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.5 p -84.57 64.67 8.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.0 p -144.81 156.72 55.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 131.74 14.62 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.474 1.776 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.85 -144.54 5.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -109.35 -25.33 10.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 110.246 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.423 ' CA ' ' HB ' ' A' ' 32' ' ' THR . 63.3 p -124.17 40.66 3.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -56.15 -71.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 108.308 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -65.51 -27.47 68.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.423 ' HB ' ' CA ' ' A' ' 29' ' ' THR . 5.9 m -64.68 -44.27 90.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.39 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.419 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -54.94 -39.35 68.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 108.321 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 82.2 m -62.18 -25.75 67.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 108.332 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 p -94.99 0.75 54.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.403 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.6 OUTLIER -126.27 19.49 7.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.98 -48.61 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 108.327 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 46' ' ' CYS . 69.3 m-85 -87.46 177.58 7.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.15 -104.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 8.7 p -95.46 -54.21 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.512 ' O ' ' N ' ' A' ' 43' ' ' GLU . 73.9 t -71.52 -73.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.539 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -33.47 -33.78 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 41' ' ' VAL . 31.5 tt0 -72.87 -57.14 4.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 0.753 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 41' ' ' VAL . 6.7 pt20 -71.97 -14.22 61.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.64 -42.31 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 34.2 t -72.83 -21.24 60.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 108.274 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -49.36 70.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -35.48 81.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 m -84.01 -6.17 59.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 110.018 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -59.08 100.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -90.55 54.81 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 108.281 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.577 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -59.32 -26.53 65.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.578 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 1.9 t70 -90.2 -9.13 49.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.578 ' CD1' ' HB3' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -130.88 -153.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.536 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 29.8 t80 58.0 119.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.437 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 66.5 p -108.84 100.65 40.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 110.405 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 1.04 8.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.802 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.21 -3.87 56.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.437 ' CG2' ' OG1' ' A' ' 7' ' ' THR . 8.8 t -144.93 40.16 1.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.373 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.52 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -157.42 162.81 39.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 108.286 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.441 ' C ' ' CD1' ' A' ' 13' ' ' TYR . . . -99.15 53.12 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.52 ' CD1' ' SG ' ' A' ' 11' ' ' CYS . 21.1 m-85 -144.1 140.28 29.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.93 -39.57 5.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 111.057 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.462 ' HB2' ' CG2' ' A' ' 18' ' ' THR . 0.5 OUTLIER -99.73 149.19 23.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.536 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 60.5 p -83.3 -34.45 25.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.05 -49.95 68.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.462 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 3.4 t -67.25 -36.85 82.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.511 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . . . -59.5 -58.81 7.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.581 ' CD1' HG21 ' A' ' 24' ' ' THR . 1.3 t-105 -54.29 -51.71 63.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 107.989 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.79 -51.96 64.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.422 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 92.8 m -61.9 -27.71 69.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.365 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.22 -38.39 35.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 108.325 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.581 HG21 ' CD1' ' A' ' 20' ' ' TRP . 6.1 p -84.23 64.72 8.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.377 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.5 p -140.22 161.78 53.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.386 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 119.24 5.55 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.12 -141.92 3.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.554 1.159 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.05 -46.92 3.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.4 p -111.02 43.53 1.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 1.4 t -67.54 -58.05 5.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 108.254 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.574 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 7.8 t80 -73.47 -8.77 57.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -92.71 -31.08 15.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 30' ' ' CYS . 15.1 p -69.75 -32.53 71.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 108.254 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 73.3 m -55.9 -38.07 69.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 108.275 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.5 t -74.0 -1.26 19.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.952 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 m -125.72 5.36 7.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.52 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -133.97 17.66 3.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 108.322 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.582 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 42.5 m-85 -157.09 171.56 20.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 39' ' ' ASP . 1.2 p30 -107.83 -104.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 8.3 p -94.65 -53.45 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' A' ' 43' ' ' GLU . 58.1 t -71.3 -71.61 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.582 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -33.19 -34.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 41' ' ' VAL . 2.9 tm-20 -74.93 -60.07 2.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -15.92 63.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.49 -48.97 8.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 51.4 t -67.21 -26.05 66.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 108.337 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.574 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 2.5 mt-30 -59.59 -49.77 76.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.65 -46.38 82.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 51' ' ' GLN . 24.7 t -72.51 -16.79 61.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.967 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -44.98 95.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' SER . 4.2 tt0 -112.06 54.23 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 108.268 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.589 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.932 0 N-CA-C 111.033 -0.411 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -65.46 -11.37 42.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.359 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.499 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 1.6 t70 -105.92 -9.22 17.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.589 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -129.21 -152.21 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 107.972 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.678 ' CD2' ' CB ' ' A' ' 16' ' ' SER . 34.5 t80 57.57 120.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.495 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 69.6 p -108.64 101.45 43.43 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.391 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.5 7.68 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.22 -3.48 50.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.495 ' CG2' ' OG1' ' A' ' 7' ' ' THR . 8.8 t -143.83 39.68 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 t -150.24 162.63 40.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 108.285 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.25 -43.73 69.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.501 ' CE2' HG22 ' A' ' 22' ' ' THR . 46.9 m-85 -85.74 154.75 21.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.2 -9.96 32.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -100.17 139.07 36.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.788 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.678 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 1.1 p -82.37 -36.21 27.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -64.44 -54.17 36.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.444 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -66.74 -35.72 80.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.396 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -61.49 -57.63 11.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.421 ' NE1' HG23 ' A' ' 24' ' ' THR . 1.8 t-105 -54.79 -52.41 62.74 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.19 -46.08 75.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.355 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.501 HG22 ' CE2' ' A' ' 13' ' ' TYR . 95.6 m -70.89 -18.53 62.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -87.51 -35.47 18.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.295 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.421 HG23 ' NE1' ' A' ' 20' ' ' TRP . 1.9 p -84.69 58.29 4.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.424 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.5 p -139.55 161.51 56.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.381 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 123.55 7.96 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.537 1.809 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.33 -153.38 8.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.441 1.088 . . . . 0.0 111.045 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -101.48 -42.99 6.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 0.755 . . . . 0.0 110.326 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.5 p -112.46 45.54 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -68.93 -61.78 1.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.296 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.574 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 4.5 t80 -75.0 -6.53 49.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.8 m -89.81 -33.93 16.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.1 p -70.03 -28.81 65.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.312 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 71.4 m -58.19 -39.77 79.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 108.273 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.2 t -78.0 0.42 24.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.971 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.2 m -128.44 13.87 6.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.598 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -144.02 18.66 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 108.285 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 35.2 m-85 -157.85 173.69 16.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.432 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 19.4 t70 -110.1 -103.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 9.5 p -94.91 -52.97 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' A' ' 45' ' ' ALA . 60.4 t -71.99 -72.3 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.562 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -32.82 -34.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 41' ' ' VAL . 9.1 tt0 -74.79 -61.28 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 110.338 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -66.73 -15.22 63.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.264 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.01 -45.13 11.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 48.8 t -71.45 -28.14 63.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 108.3 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.561 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 3.1 mt-30 -55.28 -44.99 76.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.3 mtt -71.42 -43.2 67.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' GLN . 3.7 m -80.38 2.75 23.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -63.4 82.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.5 OUTLIER -91.45 53.41 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 108.334 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.593 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -57.76 -35.23 70.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.552 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 2.1 t70 -80.35 -16.86 53.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.593 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -122.08 -154.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 108.002 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 8' ' ' PRO . 17.7 t80 57.57 119.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.7 p -111.85 96.27 32.6 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.5 Cg_endo -74.99 -9.68 20.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.55 -6.49 57.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.0 t -143.51 39.97 1.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.419 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.4 t -145.78 -179.54 6.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 108.313 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.41 -34.04 12.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -84.85 143.0 29.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.04 -12.41 39.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.525 1.14 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -101.7 142.98 32.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.35 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.433 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 53.9 p -84.66 -38.73 19.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -64.95 -49.8 68.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.47 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -69.64 -34.61 74.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -61.12 -57.83 10.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.423 ' NE1' HG21 ' A' ' 24' ' ' THR . 2.9 t-105 -55.01 -52.7 62.34 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.25 -58.11 8.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.401 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.0 m -56.84 -17.43 9.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -90.04 -39.17 13.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 108.284 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.423 HG21 ' NE1' ' A' ' 20' ' ' TRP . 0.9 OUTLIER -84.51 59.1 5.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.427 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.1 p -143.34 163.28 38.01 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.415 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 127.64 10.83 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.541 1.811 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.23 -143.95 4.21 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 29' ' ' THR . 19.2 pt20 -111.16 -42.83 3.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 110.31 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.45 ' CA ' ' HB ' ' A' ' 32' ' ' THR . 19.0 p -112.56 42.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -64.1 -60.22 3.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.246 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.563 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 15.1 t80 -75.19 -16.15 60.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.45 ' HB ' ' CA ' ' A' ' 29' ' ' THR . 2.3 m -73.08 -39.82 65.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.458 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.3 p -74.25 -21.34 59.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 108.291 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.6 m -65.81 -11.7 48.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.275 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 t -113.66 0.93 14.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.3 p -114.22 -39.53 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.604 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -93.93 24.65 4.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 108.339 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 19.5 m-85 -157.17 170.58 22.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.432 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 13.2 t0 -111.03 -104.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 8.2 p -93.73 -53.59 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.527 ' O ' ' N ' ' A' ' 45' ' ' ALA . 43.7 t -70.72 -66.56 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.592 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -36.34 -30.84 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.534 1.146 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 41' ' ' VAL . 22.4 tt0 -79.06 -61.29 2.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -16.89 63.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.02 -45.31 11.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.589 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 50.5 t -76.26 -24.61 54.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 108.303 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.563 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 4.6 mt-30 -62.3 -53.5 54.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 49' ' ' SER . 13.6 ptm -66.94 -32.03 73.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 51' ' ' GLN . 0.5 OUTLIER -95.81 10.07 38.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 109.998 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -62.4 82.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 49' ' ' SER . 16.6 tt0 -93.75 64.35 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 108.33 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.931 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 4' ' ' ASP . 7.1 pt-20 -85.26 -45.71 11.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.479 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 5.0 m-20 -74.76 -17.37 60.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.471 ' CD1' ' HB2' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -117.11 -155.43 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 108.012 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.521 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 17.2 t80 57.35 119.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 76.1 p -111.15 96.81 32.23 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.415 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.0 -1.18 10.89 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.541 1.811 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -87.15 -16.05 36.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.4 t -134.56 39.75 3.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.414 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -150.23 154.38 37.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 108.287 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.35 50.47 1.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.596 ' CD1' ' SG ' ' A' ' 37' ' ' CYS . 31.5 m-85 -142.19 130.82 22.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -97.55 23.61 35.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.423 ' HB2' ' CG2' ' A' ' 18' ' ' THR . 1.1 m-20 -156.28 142.64 18.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 0.767 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.521 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 89.1 p -82.02 -34.3 29.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.89 -50.55 66.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.423 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 1.7 t -66.47 -32.46 73.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.423 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.52 -60.7 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.46 ' CE3' ' CZ ' ' A' ' 38' ' ' PHE . 4.3 t-105 -55.51 -48.99 73.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 107.969 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.53 -63.4 1.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 83.7 m -54.65 -19.54 6.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -82.11 -45.14 15.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 108.29 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.426 HG21 ' NE1' ' A' ' 20' ' ' TRP . 2.6 p -84.51 69.46 10.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.1 p -147.17 161.07 37.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 121.53 6.64 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.791 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.57 -166.28 32.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -84.04 -33.23 24.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 0.742 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 62.7 p -114.43 47.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 110.381 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.5 t -68.47 -51.79 39.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 108.329 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.585 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 21.4 t80 -88.72 -17.81 29.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.8 m -72.86 -40.16 65.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.438 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -69.36 -21.88 63.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 108.301 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.7 m -68.5 -8.88 45.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 108.313 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.4 t -115.93 1.79 13.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.992 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 p -107.13 -45.43 4.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.596 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 1.0 OUTLIER -93.94 28.4 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 108.278 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 28.0 m-85 -158.4 168.51 26.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.429 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 18.5 t70 -110.95 -104.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 9.0 p -93.81 -54.62 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.458 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 47.6 t -71.53 -63.16 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.591 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -36.36 -32.51 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 111.052 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' VAL . 1.7 tm-20 -80.01 -55.04 5.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.6 -20.05 66.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.14 -43.89 12.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.567 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 47.8 t -74.55 -24.41 58.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 108.276 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.585 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 4.2 mt-30 -58.58 -49.77 76.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -40.7 95.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.4 t -74.99 -22.49 58.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -49.64 98.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -102.08 54.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 108.32 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.614 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 110.953 -0.441 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.15 -42.79 91.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.565 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.7 OUTLIER -74.21 -15.25 61.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.614 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -123.22 -154.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 108.019 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.504 ' CD2' ' CB ' ' A' ' 16' ' ' SER . 24.3 t80 57.69 122.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.058 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.4 p -111.67 99.19 43.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.408 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.05 0.65 8.67 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.455 1.766 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -88.83 -14.24 37.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.6 t -135.62 43.85 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.365 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.37 164.13 38.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 108.314 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.62 -33.19 41.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.238 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.556 ' CE1' HG21 ' A' ' 22' ' ' THR . 14.2 m-85 -84.86 143.69 28.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -98.15 -27.76 8.58 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.103 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 5.7 m-20 -88.46 142.89 27.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.504 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 28.5 p -82.5 -33.77 28.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.98 -48.21 59.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.431 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -71.72 -33.54 68.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -61.26 -56.76 16.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -57.19 -50.59 72.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.013 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -51.15 68.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.404 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.556 HG21 ' CE1' ' A' ' 13' ' ' TYR . 87.1 m -63.82 -19.56 65.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.383 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.77 -35.47 19.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.325 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.9 p -84.32 60.65 6.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.405 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.1 p -138.7 160.32 63.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.446 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 122.76 7.39 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.54 1.811 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.21 -144.69 4.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -109.91 -45.96 3.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 110.264 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.5 p -109.45 41.52 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.392 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 t -65.57 -58.17 6.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 108.307 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.585 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 2.4 t80 -76.86 -4.21 42.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -93.56 -34.01 13.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.373 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.9 p -67.12 -29.56 69.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 108.317 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 72.6 m -57.79 -39.18 76.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 108.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.5 p -76.61 0.34 20.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 m -127.38 9.99 6.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.599 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -140.1 17.59 2.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 108.306 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 39.6 m-85 -158.03 173.34 16.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.434 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 38.1 t0 -110.01 -104.03 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 3.7 p -94.99 -50.72 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 43' ' ' GLU . 21.3 t -72.03 -74.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.594 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -33.83 -33.05 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 41' ' ' VAL . 18.6 tt0 -76.92 -60.65 2.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -65.97 -18.15 65.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.39 -48.99 8.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 52.2 t -65.86 -28.41 68.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 108.337 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.566 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 2.8 mt-30 -56.93 -49.14 76.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.8 mtm -64.78 -48.39 74.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 51' ' ' GLN . 11.3 t -67.9 -21.08 65.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.973 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -45.8 95.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' SER . 13.7 tt0 -112.4 53.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 108.34 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.573 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 110.994 -0.425 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.73 -34.1 72.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.421 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 1.9 t70 -78.9 -30.51 44.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.573 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -102.94 -158.95 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 107.992 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 23.8 t80 57.71 120.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.443 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 65.1 p -109.61 99.9 39.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.346 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.5 Cg_endo -74.99 0.97 8.25 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -90.4 -12.92 36.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.443 ' CG2' ' OG1' ' A' ' 7' ' ' THR . 3.2 t -138.02 45.41 2.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.47 148.82 23.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 108.294 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.91 -32.93 74.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.519 ' CZ ' HG22 ' A' ' 22' ' ' THR . 15.6 m-85 -89.92 131.58 35.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -97.13 10.19 65.57 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.508 1.13 . . . . 0.0 111.055 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -119.59 140.72 50.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.747 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.564 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -79.91 -32.51 40.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.021 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -64.95 -60.84 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.3 t -61.48 -30.24 70.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.378 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -65.6 -62.14 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.241 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.42 ' CZ3' ' HZ3' ' A' ' 5' ' ' TRP . 4.7 t-105 -54.85 -47.1 74.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 107.985 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.83 -64.18 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.519 HG22 ' CZ ' ' A' ' 13' ' ' TYR . 10.1 m -54.65 -21.11 9.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.423 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.428 ' SG ' ' C ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -83.22 -42.72 16.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 108.293 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.7 p -84.63 68.26 10.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.367 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 p -148.86 158.93 38.82 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 123.52 7.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.27 -163.49 26.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -91.33 -40.56 11.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 0.735 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.1 p -110.53 44.93 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 t -69.84 -56.27 7.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 108.248 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.588 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 53.3 t80 -72.79 -24.09 60.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.1 m -70.53 -34.57 72.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.423 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.428 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -74.85 -22.71 58.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 108.306 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.7 m -68.84 -8.47 43.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 108.285 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.3 t -116.24 1.61 13.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.99 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.5 t -105.75 -47.39 3.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.535 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 1.3 m -93.56 30.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 108.33 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.59 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 23.4 m-85 -158.3 169.25 24.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.429 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 17.8 t70 -112.89 -105.1 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 9.8 p -93.96 -55.02 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.497 ' O ' ' N ' ' A' ' 45' ' ' ALA . 59.6 t -71.88 -57.57 7.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.59 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -41.01 -31.85 0.51 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' GLN . 4.0 tm-20 -81.4 -54.74 5.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.776 . . . . 0.0 110.28 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.89 -19.55 65.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.4 -44.87 11.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 42.3 t -76.83 -21.38 55.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 108.285 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.588 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 1.0 OUTLIER -64.34 -47.46 79.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -41.02 73.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.6 t -73.98 -30.74 62.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -45.49 105.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -103.95 53.25 0.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.351 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 108.309 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.567 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.044 -0.406 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -57.32 -30.52 64.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.509 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.9 OUTLIER -84.79 -21.65 29.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.567 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -117.79 -153.33 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 107.977 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 8' ' ' PRO . 19.9 t80 58.95 124.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 49.3 p -112.58 95.05 30.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.401 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.06 0.29 9.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.463 1.77 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.88 -5.31 55.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.6 t -145.14 45.39 1.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 110.431 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.448 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -160.73 164.74 31.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 108.254 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.433 ' C ' ' CD1' ' A' ' 13' ' ' TYR . . . -96.56 52.11 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.528 ' CD2' ' HA ' ' A' ' 19' ' ' ALA . 29.6 m-85 -144.96 138.75 27.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -96.01 -36.25 5.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.464 ' HB2' ' CG2' ' A' ' 18' ' ' THR . 41.3 m-20 -99.39 150.96 21.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.8 p -85.08 -38.4 19.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -65.57 -40.87 93.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -72.13 -39.98 68.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 110.37 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.528 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . . . -57.52 -57.08 14.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.518 ' CD1' HG22 ' A' ' 24' ' ' THR . 2.3 t-105 -56.78 -45.77 81.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 108.015 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.28 -59.8 4.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.394 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.2 m -56.52 -19.42 15.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.59 -38.73 18.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 108.326 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.518 HG22 ' CD1' ' A' ' 20' ' ' TRP . 19.5 p -84.95 47.34 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.7 p -136.1 160.76 65.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.376 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 119.73 5.75 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.446 1.761 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -160.48 -138.88 2.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.88 -31.39 8.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.2 p -126.97 55.16 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.371 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.3 t -70.38 -32.7 70.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 108.303 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.564 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 48.5 t80 -109.04 -19.27 13.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.6 m -81.62 -25.29 35.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.446 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.9 p -73.55 -42.08 62.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 108.31 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 80.4 m -59.16 -17.69 29.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 108.325 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.2 t -89.02 0.65 56.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.0 m -144.24 17.74 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.027 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.52 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -135.11 15.7 3.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 108.31 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 67.0 m-85 -156.4 175.45 13.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -102.29 -85.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.6 p -130.47 -42.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.533 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 3.2 t -73.92 -51.25 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.562 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -62.94 -36.28 93.21 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.437 ' N ' ' HB3' ' A' ' 38' ' ' PHE . 28.9 tt0 -73.53 -45.52 53.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -74.94 -25.91 59.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 41' ' ' VAL . . . -83.25 -37.09 23.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 48.8 t -74.11 -28.28 61.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 108.335 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.564 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 16.6 mt-30 -54.85 -52.79 61.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 mmm -66.86 -29.54 69.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.9 -36.33 59.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.32 109.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.81 53.32 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.1 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 108.279 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.585 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -58.87 -31.65 68.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.553 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.6 OUTLIER -84.23 -14.39 50.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.585 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -124.71 -154.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.675 ' CD2' ' CB ' ' A' ' 16' ' ' SER . 22.9 t80 58.07 121.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.403 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 77.5 p -110.79 99.63 42.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.382 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.04 1.12 8.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.523 1.801 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -89.69 -17.34 28.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 10' ' ' THR . 1.7 t -131.43 39.77 3.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.395 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 t -150.09 149.35 30.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.315 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.01 -10.97 44.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.525 ' CZ ' HG22 ' A' ' 22' ' ' THR . 50.3 m-85 -108.97 153.51 23.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.21 -24.69 6.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.594 ' O ' ' CZ ' ' A' ' 6' ' ' PHE . 2.6 m-20 -89.2 145.96 25.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.675 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -88.47 -31.9 18.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -70.49 -54.47 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -41.51 96.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -55.97 -56.88 15.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.572 ' CD1' HG23 ' A' ' 24' ' ' THR . 1.9 t-105 -54.69 -46.43 74.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 108.024 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.31 -56.11 21.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.375 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.525 HG22 ' CZ ' ' A' ' 13' ' ' TYR . 2.9 m -61.87 -29.46 70.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -72.25 -39.84 68.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 108.28 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.572 HG23 ' CD1' ' A' ' 20' ' ' TRP . 4.3 p -84.59 72.65 10.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.418 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.3 p -150.0 157.9 37.34 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 120.75 6.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.02 -152.36 7.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.2 -44.07 5.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 0.74 . . . . 0.0 110.341 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.3 p -111.18 40.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.368 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.1 t -63.9 -58.07 7.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.262 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -65.92 -34.24 77.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.8 m -64.84 -34.23 77.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.412 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -63.63 -39.12 93.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 108.32 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.452 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 77.3 m -59.23 -36.19 75.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 108.304 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.9 t -77.95 0.79 22.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -129.63 10.56 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.603 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -139.96 18.26 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 108.3 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 37.7 m-85 -157.84 172.27 18.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.431 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 40.3 t0 -108.66 -104.35 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.431 ' N ' ' CG ' ' A' ' 39' ' ' ASP . 7.0 p -94.66 -51.76 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' A' ' 45' ' ' ALA . 26.1 t -71.51 -74.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.56 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -32.61 -34.65 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 41' ' ' VAL . 9.3 tt0 -74.3 -57.11 4.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' VAL . 6.4 pt20 -71.71 -15.89 62.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.6 -45.16 12.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.492 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 46.5 t -71.83 -28.04 63.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 108.321 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -49.13 71.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.9 mmt -64.97 -49.89 68.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' GLN . 1.9 m -67.12 -17.56 64.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -48.3 94.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' SER . 12.2 tt0 -110.27 54.48 0.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 108.321 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.562 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -26.33 60.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.515 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 3.0 t70 -88.12 -17.93 29.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.572 ' CD1' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -123.02 -153.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.5 ' CD2' ' CB ' ' A' ' 16' ' ' SER . 19.6 t80 58.63 126.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.7 p -116.52 98.12 51.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.372 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.4 Cg_endo -74.98 0.67 8.61 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.477 1.777 . . . . 0.0 111.035 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.29 -3.34 53.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.3 t -144.96 44.69 1.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 110.418 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.74 167.92 28.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.299 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.92 -29.82 35.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.366 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.422 ' CZ ' HG22 ' A' ' 22' ' ' THR . 26.8 m-85 -84.96 142.54 29.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.06 -21.18 12.15 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -96.04 148.24 22.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.5 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 9.7 p -87.94 -40.9 13.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.02 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.87 -48.14 75.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -69.75 -36.13 75.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.382 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -59.87 -57.41 13.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.402 ' CZ3' ' HZ3' ' A' ' 5' ' ' TRP . 2.1 t-105 -56.7 -49.18 75.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 108.001 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.85 -56.82 15.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.422 HG22 ' CZ ' ' A' ' 13' ' ' TYR . 96.1 m -60.89 -18.44 56.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.88 -38.22 23.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 108.278 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -84.29 66.41 9.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.9 p -153.24 161.84 28.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.425 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 121.54 6.65 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.46 1.768 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.68 -154.55 7.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -95.79 -35.6 11.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.786 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.1 p -123.68 54.89 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.385 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.6 t -70.54 -53.73 14.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 108.338 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.569 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 8.4 t80 -89.03 -6.05 57.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 111.03 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.3 m -91.05 -28.5 17.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.4 p -67.98 -42.98 79.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 108.33 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.402 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 67.8 m -56.02 -30.15 61.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 108.299 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 p -80.46 0.4 33.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.027 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.08 17.48 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.977 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.52 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -141.3 17.13 2.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 108.275 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 46.5 m-85 -156.96 169.85 23.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -98.34 -82.89 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.532 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 1.6 p -129.99 -50.3 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.572 ' HB ' ' CD1' ' A' ' 5' ' ' TRP . 5.2 t -72.77 -38.71 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.348 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.434 ' HA2' ' CE3' ' A' ' 5' ' ' TRP . . . -66.18 -37.1 92.68 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.525 1.14 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.436 ' N ' ' HB3' ' A' ' 38' ' ' PHE . 15.4 tt0 -84.36 -44.21 13.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 0.809 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.532 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 4.8 mm100 -65.22 -29.39 70.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 41' ' ' VAL . . . -84.93 -36.45 21.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 50' ' ' ALA . 43.9 t -74.88 -28.82 60.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 108.261 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.569 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 2.0 mt-30 -57.7 -47.1 83.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.28 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.3 mtm -69.41 -48.27 61.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.7 t -64.94 -27.95 69.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.977 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -50.88 106.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.45 52.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 108.301 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.583 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -40.04 79.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.419 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.5 OUTLIER -73.64 -33.53 64.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.583 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -100.06 -160.37 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 107.988 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 19.2 t80 58.29 125.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 44.6 p -108.89 100.69 40.93 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.372 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 1.22 8.0 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.779 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.77 -9.89 36.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.4 t -145.17 41.52 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.357 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.6 t -134.85 160.4 38.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 108.305 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.58 -47.03 70.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CE2' HG22 ' A' ' 22' ' ' THR . 17.9 m-85 -98.46 162.48 13.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.59 0.4 42.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -102.13 135.9 42.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 0.729 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.567 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 2.7 p -79.86 -34.54 39.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -65.11 -53.67 41.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.55 -35.09 78.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.389 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -59.92 -57.56 12.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -56.97 -48.55 78.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 108.013 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.417 ' O ' ' CG2' ' A' ' 25' ' ' THR . 0.8 OUTLIER -54.44 -60.49 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.332 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.558 HG22 ' CE2' ' A' ' 13' ' ' TYR . 46.9 m -56.53 -24.6 47.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -78.39 -41.19 33.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 108.312 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 p -84.58 58.91 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.417 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.417 ' CG2' ' O ' ' A' ' 21' ' ' THR . 70.9 p -137.11 153.59 75.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 110.421 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 127.59 10.77 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.482 1.78 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.12 -143.2 3.91 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -109.11 -26.59 10.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.418 ' CA ' ' HB ' ' A' ' 32' ' ' THR . 35.4 p -121.95 40.89 3.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 t -57.66 -68.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -68.01 -26.82 66.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.418 ' HB ' ' CA ' ' A' ' 29' ' ' THR . 8.7 m -64.27 -31.54 72.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.403 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.425 ' O ' ' SG ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -80.75 -23.88 39.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.278 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.4 m -68.94 -8.77 47.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 108.293 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 p -117.0 1.82 12.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.04 -49.2 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.037 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.587 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 75.3 m -93.54 31.35 1.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 108.313 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CE2' ' HB2' ' A' ' 46' ' ' CYS . 14.9 m-85 -157.81 168.56 26.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.426 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 21.7 t70 -113.09 -104.67 0.4 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 9.2 p -95.43 -53.68 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.552 ' O ' ' N ' ' A' ' 45' ' ' ALA . 21.4 t -71.73 -53.49 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.572 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -47.03 -29.96 4.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.52 1.138 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' GLN . 5.2 tt0 -81.94 -59.18 2.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -63.43 -18.47 63.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.9 -45.08 11.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.591 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 42.4 t -75.02 -28.18 60.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 108.274 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 43' ' ' GLU . 1.4 mt-30 -54.46 -45.18 73.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.4 mtt -78.35 -0.58 29.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' GLN . 1.4 m -124.78 7.2 8.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.085 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -62.79 82.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.1 OUTLIER -84.9 67.63 10.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 108.277 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.566 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.85 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.26 -33.49 65.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.42 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.5 OUTLIER -77.58 -28.27 51.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.566 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -112.73 -153.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.03 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.582 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 37.8 t80 57.97 121.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.9 p -112.84 95.64 34.4 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.05 1.17 8.06 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.32 -3.88 49.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 t -145.21 40.78 1.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.44 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -146.04 -178.17 5.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.276 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.27 -35.74 12.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.511 ' CE2' HG22 ' A' ' 22' ' ' THR . 4.0 m-30 -87.55 145.59 26.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.13 -4.13 54.02 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.553 ' O ' ' CZ ' ' A' ' 6' ' ' PHE . 27.4 m-20 -102.95 151.05 22.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.582 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 87.9 p -97.4 -34.07 11.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.028 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -72.18 -42.58 65.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -75.67 -36.21 60.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.415 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.421 ' N ' HG22 ' A' ' 18' ' ' THR . . . -60.39 -55.0 38.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.425 ' NE1' HG22 ' A' ' 24' ' ' THR . 1.7 t-105 -57.15 -51.11 70.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 107.978 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.9 -58.47 7.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.511 HG22 ' CE2' ' A' ' 13' ' ' TYR . 13.8 m -57.05 -18.1 12.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.09 -38.31 13.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.31 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.425 HG22 ' NE1' ' A' ' 20' ' ' TRP . 1.4 p -84.28 56.33 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.083 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 p -141.84 158.27 62.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.391 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 127.33 10.58 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.529 1.805 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -169.23 -147.14 5.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 29' ' ' THR . 5.8 pt20 -104.64 -35.04 7.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.417 ' CA ' ' HB ' ' A' ' 32' ' ' THR . 23.7 p -121.79 51.64 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.385 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -66.96 -71.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 108.316 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -69.21 -17.34 63.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 111.028 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.417 ' HB ' ' CA ' ' A' ' 29' ' ' THR . 3.4 m -67.19 -30.61 70.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.3 p -90.46 -16.0 29.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 108.323 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.9 m -65.75 -10.46 37.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 108.296 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.5 p -116.01 1.48 13.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.2 m -108.33 -43.91 4.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.16 29.8 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 108.274 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.499 ' HB3' ' C ' ' A' ' 42' ' ' GLY . 48.6 m-85 -157.61 174.69 14.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.42 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 33.2 t0 -116.41 -104.48 0.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 0.9 OUTLIER -93.76 -66.41 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 45' ' ' ALA . 60.7 t -68.57 -44.0 83.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.499 ' C ' ' HB3' ' A' ' 38' ' ' PHE . . . -48.49 -32.92 10.94 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -85.12 -50.13 7.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.42 ' CG ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -63.5 -20.97 66.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.318 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.58 -39.18 16.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 50' ' ' ALA . 34.2 t -75.95 -31.48 59.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.328 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.92 -47.93 73.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 27.4 mmt -67.65 -38.79 84.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 51' ' ' GLN . 3.3 m -88.91 10.49 21.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.974 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -66.93 72.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' SER . 2.2 mp0 -84.97 66.48 9.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.24 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 108.334 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.612 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 111.03 -0.412 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -56.13 -38.86 71.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.506 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 2.4 t70 -71.99 -23.88 61.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.612 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -114.79 -154.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.575 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 24.3 t80 58.05 124.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.1 p -109.19 100.56 41.36 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -5.08 16.34 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.531 1.806 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.81 -11.96 49.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 t -144.66 43.17 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.4 t -135.16 161.02 36.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 108.306 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.62 -45.98 67.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.54 ' CE2' HG22 ' A' ' 22' ' ' THR . 46.1 m-85 -98.34 159.12 15.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.54 6.06 55.05 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 2.5 m-20 -110.01 141.16 43.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.575 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 50.0 p -85.14 -34.51 22.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.013 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.55 -53.24 36.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.452 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 0.7 OUTLIER -67.95 -33.48 74.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -61.54 -57.74 10.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.423 ' CZ3' ' HZ3' ' A' ' 5' ' ' TRP . 3.4 t-105 -56.53 -51.68 67.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 108.022 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.83 -60.59 3.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.54 HG22 ' CE2' ' A' ' 13' ' ' TYR . 73.3 m -54.79 -18.56 4.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.402 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.03 -39.22 14.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.404 HG21 ' NE1' ' A' ' 20' ' ' TRP . 21.5 p -84.06 62.05 6.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.408 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.403 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 7.8 p -151.89 155.59 33.78 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.37 4.88 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.451 1.764 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.82 -130.98 1.19 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -112.08 -30.42 7.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.1 p -127.68 57.44 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 34.5 t -70.95 -39.65 72.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 108.296 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -107.61 -23.27 12.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.6 m -65.75 -29.42 69.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.0 p -87.51 -19.49 27.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 108.305 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.8 m -65.65 -11.33 43.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 108.309 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.2 p -115.29 1.97 13.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.17 -42.08 4.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.641 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 60.8 m -95.06 26.75 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 108.258 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.641 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 18.7 m-85 -157.32 167.91 28.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 29.7 t0 -109.58 -104.54 0.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 9.7 p -94.6 -50.56 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 45' ' ' ALA . 14.0 t -69.77 -70.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.629 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -35.15 -32.0 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.55 1.156 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 41' ' ' VAL . 1.8 tt0 -73.44 -63.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -68.59 -16.26 63.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.39 -43.09 13.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 47.5 t -74.88 -33.98 62.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 108.262 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 43' ' ' GLU . 1.2 mp0 -54.12 -38.24 65.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.5 mmm -76.24 -23.47 54.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.02 -27.35 19.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -45.97 101.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -117.99 53.17 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 25' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 108.269 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.575 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 4' ' ' ASP . 7.1 pt-20 -59.48 -38.61 81.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.337 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 3' ' ' GLU . 1.2 m-20 -79.63 -32.29 41.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.575 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -102.88 -154.66 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 108.018 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 8' ' ' PRO . 19.9 t80 57.98 120.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.9 p -112.83 94.3 28.4 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.449 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.1 Cg_endo -74.99 -11.58 21.49 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.758 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.34 -7.13 53.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.7 t -144.87 39.86 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.424 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -149.95 163.23 38.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 108.257 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.508 ' C ' ' CD1' ' A' ' 13' ' ' TYR . . . -97.3 52.46 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.601 ' CD1' ' SG ' ' A' ' 37' ' ' CYS . 15.0 m-85 -146.81 142.96 28.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -97.77 -29.63 7.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.428 ' HB2' ' CG2' ' A' ' 18' ' ' THR . 14.8 m-20 -104.49 152.49 22.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.505 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 79.5 p -87.42 -36.85 17.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -64.85 -40.6 95.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.428 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 1.5 t -71.19 -41.38 70.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.42 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.436 ' CB ' ' CE1' ' A' ' 6' ' ' PHE . . . -56.26 -57.15 13.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.407 ' NE1' HG21 ' A' ' 24' ' ' THR . 2.0 t-105 -55.23 -50.11 70.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 108.01 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.7 -54.6 39.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.6 m -62.48 -18.25 61.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.385 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -82.89 -39.84 21.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 108.3 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.407 HG21 ' NE1' ' A' ' 20' ' ' TRP . 7.3 p -84.82 59.15 5.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.1 p -133.66 157.86 76.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.35 11.41 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.83 -157.75 17.84 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -97.75 -14.45 20.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.9 p -132.34 45.5 2.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.424 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -64.7 -62.75 1.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.29 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.572 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 29.0 t80 -72.39 -22.81 61.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.0 m -68.98 -40.96 78.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.386 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.434 ' O ' ' SG ' ' A' ' 23' ' ' CYS . 1.3 t -68.33 -25.87 65.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 108.266 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.3 m -67.05 -9.57 40.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 108.339 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.9 t -116.0 1.54 13.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.036 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.13 -44.32 4.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.601 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -93.69 28.62 2.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 108.334 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.474 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 54.2 m-85 -158.0 173.21 17.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.424 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 18.1 t70 -112.86 -106.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 9.8 p -96.36 -55.43 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 45' ' ' ALA . 59.8 t -71.56 -52.8 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.474 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -46.59 -30.87 4.82 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -82.39 -53.28 6.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -22.45 66.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.16 -40.11 15.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 50' ' ' ALA . 38.5 t -74.3 -28.87 61.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 108.278 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.572 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 8.1 mt-30 -54.35 -40.93 68.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.4 mmt -69.82 -37.0 76.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.41 -25.26 46.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.958 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -45.41 101.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -100.79 53.57 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 108.296 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.597 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -60.15 -28.86 68.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.546 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.6 OUTLIER -88.7 -12.14 43.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.263 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.597 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -126.34 -151.9 0.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 108.011 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.6 ' CZ ' ' O ' ' A' ' 15' ' ' ASP . 13.3 t80 59.12 128.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.9 p -110.07 99.95 41.58 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.6 Cg_endo -74.96 1.3 7.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.78 . . . . 0.0 111.039 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -93.75 -12.7 28.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 36' ' ' SER . 4.2 t -144.01 43.79 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 35.4 t -134.78 167.25 21.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 108.311 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.44 -34.7 78.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.547 ' CD2' HG22 ' A' ' 18' ' ' THR . 59.3 m-85 -121.44 173.5 7.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.51 -5.19 52.12 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.136 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.6 ' O ' ' CZ ' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -99.95 147.01 26.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.573 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -82.27 -27.94 32.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -71.9 -65.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.547 HG22 ' CD2' ' A' ' 13' ' ' TYR . 1.1 t -54.86 -35.64 64.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.375 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.533 ' CB ' ' CE1' ' A' ' 6' ' ' PHE . . . -65.32 -59.64 3.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.435 ' CE3' ' CZ ' ' A' ' 38' ' ' PHE . 2.2 t-105 -54.51 -41.99 70.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 108.025 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.57 -50.61 73.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.417 ' O ' ' OG1' ' A' ' 25' ' ' THR . 2.7 m -67.82 -19.56 65.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.352 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -82.46 -41.21 20.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.298 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 20' ' ' TRP . 4.0 p -84.8 55.63 3.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.343 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 22' ' ' THR . 7.8 p -141.13 158.46 64.44 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 127.49 10.78 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.431 1.753 . . . . 0.0 111.042 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.05 -145.01 4.38 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -105.26 -33.75 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 p -123.15 51.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.416 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 t -65.21 -67.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 108.289 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.649 ' HH ' ' NE2' ' A' ' 47' ' ' GLN . 32.7 t80 -65.56 -26.53 67.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.1 m -72.87 -41.52 64.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.403 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.418 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -54.98 -38.62 68.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 108.319 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.443 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 66.3 m -57.35 -36.44 71.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 108.29 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.9 t -77.76 0.87 21.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -132.52 12.85 4.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.566 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 10.5 m -141.17 15.56 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.286 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 45.3 m-85 -158.13 171.24 20.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.428 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 39.6 t0 -106.09 -104.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.431 HG13 ' N ' ' A' ' 41' ' ' VAL . 7.8 p -95.79 -49.96 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' A' ' 45' ' ' ALA . 24.4 t -72.11 -75.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.583 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -32.85 -34.7 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 41' ' ' VAL . 14.7 tt0 -74.53 -59.58 2.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -67.71 -18.06 64.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.73 -46.63 10.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.487 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 42.2 t -65.78 -24.61 66.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.331 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.649 ' NE2' ' HH ' ' A' ' 31' ' ' TYR . 5.2 mt-30 -55.63 -49.14 73.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.68 -43.48 93.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 51' ' ' GLN . 1.0 OUTLIER -76.35 -8.9 58.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -59.11 86.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' SER . 8.0 tm0? -100.49 56.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 108.278 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.561 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.996 -0.424 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.24 -29.79 66.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.21 -31.51 33.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.561 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -106.04 -152.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.601 ' CZ ' ' O ' ' A' ' 15' ' ' ASP . 22.0 t80 58.45 124.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.0 p -113.72 98.92 48.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.418 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.2 Cg_endo -75.04 0.82 8.46 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -89.76 -12.0 40.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.3 t -138.28 47.8 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 36' ' ' SER . 0.7 OUTLIER -159.53 153.72 23.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 0.0 108.307 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.41 -31.57 71.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.521 ' CZ ' HG23 ' A' ' 22' ' ' THR . 2.7 m-85 -84.79 150.3 25.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.35 -21.64 7.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.544 1.153 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.601 ' O ' ' CZ ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -91.79 161.43 14.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.516 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 7.3 p -98.19 -40.42 8.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -64.89 -48.96 72.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -70.39 -37.04 74.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -60.34 -56.46 21.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -56.27 -49.61 73.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 108.004 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.06 -48.63 73.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.521 HG23 ' CZ ' ' A' ' 13' ' ' TYR . 88.8 m -68.59 -21.43 64.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.43 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.458 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -81.43 -39.76 24.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 108.286 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.5 p -84.96 66.41 9.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 p -145.17 156.5 54.41 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.41 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 130.06 12.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -178.57 -148.87 7.8 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.562 1.164 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -101.43 -27.94 12.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 110.27 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.7 p -122.26 52.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.4 t -73.62 -49.79 24.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 108.336 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.583 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 23.0 t80 -86.93 -21.86 26.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.4 m -75.57 -39.69 57.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -44.95 75.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.267 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.458 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 62.0 m -58.36 -32.4 68.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.0 m -78.65 1.01 24.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 109.981 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.403 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 6.4 p -136.95 14.46 3.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.508 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -140.27 16.26 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.306 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.569 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 51.7 m-85 -157.03 166.35 33.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.76 -83.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -129.75 -45.09 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.529 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 13.1 t -74.33 -46.03 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.569 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -59.76 -40.15 96.25 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.499 1.124 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.468 ' N ' ' HB3' ' A' ' 38' ' ' PHE . 13.6 tt0 -75.04 -50.12 17.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 0.788 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 1.8 pp0? -65.11 -27.55 68.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 41' ' ' VAL . . . -84.23 -34.25 23.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 50' ' ' ALA . 43.5 t -74.61 -29.39 61.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 108.304 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.583 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 12.4 mt-30 -54.36 -46.99 73.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.245 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.9 mtt -65.31 -33.04 75.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -79.43 -28.93 41.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -46.03 98.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 49' ' ' SER . 13.5 tt0 -108.01 53.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 108.303 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.61 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 111.054 -0.402 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -58.18 -43.75 87.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.432 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 9.4 t0 -70.79 -32.14 69.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.61 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -100.36 -162.65 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 22.4 t80 57.87 118.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.496 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 44.4 p -110.21 99.64 40.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.2 Cg_endo -75.02 -8.57 20.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -78.2 -20.1 52.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.496 ' CG2' ' OG1' ' A' ' 7' ' ' THR . 3.1 t -128.59 41.42 3.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.44 173.87 12.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.26 -35.24 20.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -85.61 154.95 21.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -111.85 -9.29 21.03 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.517 1.135 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -105.09 145.81 30.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 0.736 . . . . 0.0 109.314 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.581 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 1.6 p -85.73 -32.77 21.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -65.11 -56.1 14.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 t -65.37 -35.06 79.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -62.98 -58.74 6.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.44 ' NE1' HG21 ' A' ' 24' ' ' THR . 3.2 t-105 -54.6 -49.28 70.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 107.995 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.04 -63.24 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.467 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.7 m -54.64 -18.93 5.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.423 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.429 ' SG ' ' C ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -84.39 -41.87 16.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 108.285 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.44 HG21 ' NE1' ' A' ' 20' ' ' TRP . 1.0 OUTLIER -86.03 56.53 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.392 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.3 p -136.76 154.14 76.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 125.99 9.65 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.515 1.797 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.94 -137.02 2.15 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -112.58 -26.94 8.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.3 p -126.02 51.6 1.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.406 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 t -66.6 -67.77 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 108.31 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.588 ' HH ' ' NE2' ' A' ' 47' ' ' GLN . 33.4 t80 -67.59 -25.15 65.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.949 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -68.1 -42.34 80.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.429 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -68.78 -23.82 64.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 108.307 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 35.1 m -70.26 -7.28 41.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 108.308 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.8 t -116.14 1.41 13.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.3 -47.31 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.991 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.521 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 1.1 m -93.82 30.77 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 108.258 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.547 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 19.0 m-85 -158.21 168.16 27.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.408 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 31.0 t0 -113.49 -104.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.085 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 10.1 p -95.32 -55.59 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 45' ' ' ALA . 7.2 t -73.11 -48.7 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.547 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -46.53 -38.7 9.64 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 47' ' ' GLN . 3.0 tt0 -85.1 -41.48 15.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 0.775 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 4.0 mm-40 -64.74 -27.7 69.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.22 -44.43 12.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 50' ' ' ALA . 15.6 t -67.85 -33.77 75.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 108.282 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.588 ' NE2' ' HH ' ' A' ' 31' ' ' TYR . 2.9 mt-30 -54.25 -38.78 66.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.9 mtt -74.63 -34.49 62.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 m -92.41 7.3 43.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -62.09 87.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -97.27 64.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.124 . . . . 0.0 108.279 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.573 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.914 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -40.44 74.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.343 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -77.37 -40.89 42.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.573 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -92.34 -154.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 108.01 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.6 ' CE1' ' CB ' ' A' ' 19' ' ' ALA . 27.6 t80 58.04 117.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.1 p -113.25 93.8 27.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.416 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.551 ' HG3' ' CE2' ' A' ' 6' ' ' PHE . 18.4 Cg_endo -74.94 -13.88 21.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.65 -10.07 59.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -141.07 41.1 1.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.343 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.48 172.36 13.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 108.327 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.8 -37.99 23.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.517 ' CZ ' HG22 ' A' ' 22' ' ' THR . 28.5 m-85 -87.03 151.31 23.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -106.45 -13.25 23.07 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.46 ' HB2' ' CG2' ' A' ' 18' ' ' THR . 1.1 m-20 -95.01 142.95 26.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.572 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 60.4 p -82.61 -38.53 23.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.988 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -65.34 -51.44 60.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.46 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -67.16 -35.38 79.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.358 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.6 ' CB ' ' CE1' ' A' ' 6' ' ' PHE . . . -59.89 -59.08 5.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.416 ' CE3' ' CZ ' ' A' ' 38' ' ' PHE . 2.5 t-105 -56.47 -48.77 76.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 108.021 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.01 -56.84 15.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.517 HG22 ' CZ ' ' A' ' 13' ' ' TYR . 95.7 m -60.19 -18.04 45.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -85.79 -38.19 18.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 108.321 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.0 p -84.6 66.22 9.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.388 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.6 p -145.63 156.2 52.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.436 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 123.0 7.54 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.483 1.781 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.5 -158.62 15.88 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.539 1.15 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -87.18 -31.35 20.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 0.739 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.1 p -117.85 50.87 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.437 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.7 t -67.27 -53.79 26.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 108.289 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.573 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 25.2 t80 -85.85 -23.58 27.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.95 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.4 m -69.51 -43.02 73.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.44 ' O ' ' SG ' ' A' ' 23' ' ' CYS . 1.1 t -64.95 -26.27 68.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 108.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.7 m -68.07 -8.31 36.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.28 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.7 t -115.78 1.48 13.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -105.85 -45.82 4.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.027 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -94.04 30.67 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.288 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.463 ' HB3' ' C ' ' A' ' 42' ' ' GLY . 48.9 m-85 -158.28 173.68 16.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.41 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 45.3 t0 -115.24 -105.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 10.5 p -97.15 -55.82 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 45' ' ' ALA . 26.4 t -71.93 -46.06 61.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.463 ' C ' ' HB3' ' A' ' 38' ' ' PHE . . . -53.2 -32.5 43.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 47' ' ' GLN . 4.1 tm-20 -83.44 -50.29 8.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -64.38 -24.29 67.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.598 1.186 . . . . 0.0 110.307 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.16 -38.93 17.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 50' ' ' ALA . 23.6 t -76.63 -27.02 55.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.179 . . . . 0.0 108.307 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.573 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 4.5 mt-30 -54.71 -59.89 4.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.2 mtm -64.82 -9.33 19.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 111.039 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.1 p -97.91 -30.71 12.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -48.86 105.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.97 53.88 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 108.26 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.57 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo -74.98 49.76 2.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.543 1.812 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -84.93 -40.91 16.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -81.59 -15.5 54.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.57 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -115.96 -156.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 107.97 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.695 ' CD2' ' CB ' ' A' ' 16' ' ' SER . 23.5 t80 58.02 125.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.5 p -116.6 98.38 51.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.362 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.02 0.1 9.33 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.51 1.795 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -89.52 -9.87 48.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.0 t -141.08 46.2 1.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.43 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 36' ' ' SER . 1.2 t -157.92 157.02 32.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.286 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.84 -41.5 95.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.412 ' CZ ' HG21 ' A' ' 22' ' ' THR . 9.9 m-85 -84.79 134.21 34.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -96.11 6.44 66.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.508 ' C ' ' CZ ' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -119.11 139.73 51.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 0.75 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.695 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -77.39 -30.31 53.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -68.99 -66.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 t -55.22 -35.91 65.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 110.398 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -61.44 -62.16 2.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.421 ' NE1' HG21 ' A' ' 24' ' ' THR . 1.9 t-105 -54.72 -50.55 68.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 107.989 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.37 -58.59 6.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.412 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 42.3 m -59.53 -17.98 36.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.44 -37.94 22.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 108.315 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.421 HG21 ' NE1' ' A' ' 20' ' ' TRP . 5.0 p -83.82 51.46 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 22' ' ' THR . 24.7 p -136.93 161.17 63.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.389 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 122.71 7.36 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.548 1.815 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.31 -157.84 11.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -95.23 -38.9 10.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 0.775 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.1 p -116.24 51.04 0.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.463 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.4 t -72.57 -46.31 54.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 108.306 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.522 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 19.3 t80 -92.19 -11.5 35.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -86.68 -29.99 22.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.9 p -65.65 -41.03 93.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 108.329 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 43.1 m -55.45 -33.91 64.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 108.299 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.6 t -78.49 0.58 25.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.401 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -138.26 16.86 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.013 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.55 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -142.11 17.06 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 108.284 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.575 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 47.3 m-85 -157.47 174.44 15.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 39' ' ' ASP . 3.3 t0 -104.8 -80.27 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.404 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 10.0 p -130.57 -47.51 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.533 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 12.3 t -74.5 -46.47 42.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.575 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -59.58 -37.51 92.32 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.418 1.074 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.436 ' N ' ' HB3' ' A' ' 38' ' ' PHE . 16.1 tt0 -78.86 -49.41 12.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.402 ' CG ' ' HA ' ' A' ' 41' ' ' VAL . 2.1 pp0? -65.68 -26.2 67.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.253 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 41' ' ' VAL . . . -84.47 -33.41 23.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 41.0 t -81.93 -22.07 36.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 108.28 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.522 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 19.1 mt-30 -59.4 -57.96 10.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.0 mtt -69.53 -38.71 77.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.7 t -64.97 -49.08 71.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -48.2 114.33 0.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.07 53.62 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 108.236 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.6 m120 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.596 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.2 Cg_endo -75.01 1.67 7.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -58.28 -35.04 71.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.541 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.5 OUTLIER -81.06 -16.49 53.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.596 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -121.66 -155.36 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.526 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 21.2 t80 56.87 117.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.419 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 50.4 p -110.81 98.07 36.33 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.4 Cg_endo -74.94 -3.6 14.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.49 -4.04 59.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.419 ' CG2' ' OG1' ' A' ' 7' ' ' THR . 9.1 t -145.07 39.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 110.431 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -148.47 -179.85 7.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.246 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.74 -25.46 14.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 109.238 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.522 ' CZ ' HG22 ' A' ' 22' ' ' THR . 15.2 m-30 -84.78 141.35 30.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.17 -16.22 28.31 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -104.3 142.99 33.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 0.742 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.526 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 82.7 p -83.96 -39.05 20.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.951 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -64.64 -51.85 60.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -67.56 -33.8 75.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.419 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -60.78 -58.84 6.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.418 ' CZ3' ' HZ3' ' A' ' 5' ' ' TRP . 2.0 t-105 -55.04 -52.96 61.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 107.987 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.9 -37.8 69.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.368 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.522 HG22 ' CZ ' ' A' ' 13' ' ' TYR . 15.4 m -75.31 -18.69 59.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.48 -35.84 14.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.418 HG22 ' NE1' ' A' ' 20' ' ' TRP . 1.9 p -84.57 56.32 3.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.3 p -137.57 158.47 71.86 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.398 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 122.59 7.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.64 -144.45 4.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.75 -42.77 3.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.7 p -109.28 41.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.351 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.74 -61.72 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 108.312 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.57 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 11.2 t80 -73.58 -13.94 61.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.4 m -75.83 -40.82 54.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.7 p -74.75 -17.54 60.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 108.288 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.8 m -65.97 -11.09 45.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 108.289 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.1 t -114.59 1.15 14.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.92 -41.9 4.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.003 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.597 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -93.9 25.88 3.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 108.295 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 22.1 m-85 -157.82 171.49 20.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.431 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 12.2 t0 -112.67 -104.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.46 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 7.5 p -93.79 -54.02 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.5 ' O ' ' N ' ' A' ' 45' ' ' ALA . 74.2 t -71.48 -65.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.589 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -36.1 -31.47 0.04 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 41' ' ' VAL . 1.5 tm-20 -79.72 -59.78 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.742 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.09 -18.89 64.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.82 -41.65 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.564 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 42.1 t -74.18 -29.76 61.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 108.251 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.57 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 3.1 mt-30 -55.45 -52.32 64.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.432 ' HG3' ' N ' ' A' ' 49' ' ' SER . 18.5 ptm -65.68 -32.25 73.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.432 ' N ' ' HG3' ' A' ' 48' ' ' MET . 0.8 OUTLIER -91.27 4.36 52.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -63.04 82.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -93.02 67.12 4.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.247 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 108.299 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.575 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo -74.97 0.47 8.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.778 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -57.67 -29.59 64.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.512 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 9.3 t0 -86.18 -16.63 37.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.575 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -123.09 -154.21 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.011 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.673 ' CE1' ' CB ' ' A' ' 19' ' ' ALA . 31.3 t80 56.89 116.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.9 p -110.06 99.25 38.52 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.443 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -11.13 21.48 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.459 1.768 . . . . 0.0 111.037 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.32 -6.99 53.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.167 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.2 t -144.33 39.86 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.445 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.479 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -152.77 163.88 38.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 108.304 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.465 ' C ' ' CD1' ' A' ' 13' ' ' TYR . . . -97.43 52.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.479 ' CD1' ' SG ' ' A' ' 11' ' ' CYS . 21.1 m-85 -145.97 143.09 29.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.25 -20.23 16.35 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -117.05 147.23 42.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 0.792 . . . . 0.0 109.249 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.522 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 92.7 p -80.73 -32.8 35.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -64.81 -49.02 72.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 t -66.55 -34.92 78.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.673 ' CB ' ' CE1' ' A' ' 6' ' ' PHE . . . -60.27 -60.62 3.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.544 ' CE3' ' CZ ' ' A' ' 38' ' ' PHE . 2.3 t-105 -55.68 -46.85 77.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 107.996 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.91 -60.68 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.368 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 m -58.26 -19.27 32.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.407 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.419 ' SG ' ' C ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -80.0 -41.23 26.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 108.33 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.5 p -84.57 64.67 8.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.0 p -144.81 156.72 55.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 131.74 14.62 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.474 1.776 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.85 -144.54 5.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -109.35 -25.33 10.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 110.246 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.423 ' CA ' ' HB ' ' A' ' 32' ' ' THR . 63.3 p -124.17 40.66 3.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -56.15 -71.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 108.308 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -65.51 -27.47 68.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.423 ' HB ' ' CA ' ' A' ' 29' ' ' THR . 5.9 m -64.68 -44.27 90.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.39 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.419 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -54.94 -39.35 68.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 108.321 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 82.2 m -62.18 -25.75 67.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 108.332 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 p -94.99 0.75 54.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.403 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.6 OUTLIER -126.27 19.49 7.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.98 -48.61 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 108.327 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 46' ' ' CYS . 69.3 m-85 -87.46 177.58 7.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.15 -104.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 8.7 p -95.46 -54.21 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.512 ' O ' ' N ' ' A' ' 43' ' ' GLU . 73.9 t -71.52 -73.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.539 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -33.47 -33.78 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 41' ' ' VAL . 31.5 tt0 -72.87 -57.14 4.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 0.753 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 41' ' ' VAL . 6.7 pt20 -71.97 -14.22 61.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.64 -42.31 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 34.2 t -72.83 -21.24 60.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 108.274 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -49.36 70.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -35.48 81.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 m -84.01 -6.17 59.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 110.018 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -59.08 100.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -90.55 54.81 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 108.281 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.577 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.2 Cg_endo -75.04 1.51 7.68 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -59.32 -26.53 65.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.578 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 1.9 t70 -90.2 -9.13 49.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.578 ' CD1' ' HB3' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -130.88 -153.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.536 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 29.8 t80 58.0 119.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.437 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 66.5 p -108.84 100.65 40.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 110.405 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 1.04 8.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.802 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.21 -3.87 56.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.437 ' CG2' ' OG1' ' A' ' 7' ' ' THR . 8.8 t -144.93 40.16 1.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.373 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.52 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -157.42 162.81 39.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 108.286 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.441 ' C ' ' CD1' ' A' ' 13' ' ' TYR . . . -99.15 53.12 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.52 ' CD1' ' SG ' ' A' ' 11' ' ' CYS . 21.1 m-85 -144.1 140.28 29.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.93 -39.57 5.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 111.057 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.462 ' HB2' ' CG2' ' A' ' 18' ' ' THR . 0.5 OUTLIER -99.73 149.19 23.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.536 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 60.5 p -83.3 -34.45 25.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.05 -49.95 68.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.462 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 3.4 t -67.25 -36.85 82.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.511 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . . . -59.5 -58.81 7.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.581 ' CD1' HG21 ' A' ' 24' ' ' THR . 1.3 t-105 -54.29 -51.71 63.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 107.989 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.79 -51.96 64.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.422 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 92.8 m -61.9 -27.71 69.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.365 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.22 -38.39 35.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 108.325 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.581 HG21 ' CD1' ' A' ' 20' ' ' TRP . 6.1 p -84.23 64.72 8.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.377 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.5 p -140.22 161.78 53.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.386 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 119.24 5.55 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.12 -141.92 3.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.554 1.159 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.05 -46.92 3.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.4 p -111.02 43.53 1.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 1.4 t -67.54 -58.05 5.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 108.254 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.574 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 7.8 t80 -73.47 -8.77 57.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -92.71 -31.08 15.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 30' ' ' CYS . 15.1 p -69.75 -32.53 71.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 108.254 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 73.3 m -55.9 -38.07 69.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 108.275 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.5 t -74.0 -1.26 19.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.952 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 m -125.72 5.36 7.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.52 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -133.97 17.66 3.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 108.322 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.582 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 42.5 m-85 -157.09 171.56 20.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 39' ' ' ASP . 1.2 p30 -107.83 -104.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 8.3 p -94.65 -53.45 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' A' ' 43' ' ' GLU . 58.1 t -71.3 -71.61 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.582 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -33.19 -34.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 41' ' ' VAL . 2.9 tm-20 -74.93 -60.07 2.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -15.92 63.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.49 -48.97 8.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 51.4 t -67.21 -26.05 66.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 108.337 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.574 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 2.5 mt-30 -59.59 -49.77 76.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.65 -46.38 82.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 51' ' ' GLN . 24.7 t -72.51 -16.79 61.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.967 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -44.98 95.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' SER . 4.2 tt0 -112.06 54.23 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 108.268 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.589 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo -75.03 1.34 7.86 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.455 1.766 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -65.46 -11.37 42.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.359 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.499 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 1.6 t70 -105.92 -9.22 17.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.589 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -129.21 -152.21 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 107.972 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.678 ' CD2' ' CB ' ' A' ' 16' ' ' SER . 34.5 t80 57.57 120.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.495 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 69.6 p -108.64 101.45 43.43 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.391 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.5 7.68 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.22 -3.48 50.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.495 ' CG2' ' OG1' ' A' ' 7' ' ' THR . 8.8 t -143.83 39.68 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 t -150.24 162.63 40.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 108.285 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.25 -43.73 69.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.501 ' CE2' HG22 ' A' ' 22' ' ' THR . 46.9 m-85 -85.74 154.75 21.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.2 -9.96 32.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -100.17 139.07 36.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.788 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.678 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 1.1 p -82.37 -36.21 27.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -64.44 -54.17 36.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.444 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -66.74 -35.72 80.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.396 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -61.49 -57.63 11.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.421 ' NE1' HG23 ' A' ' 24' ' ' THR . 1.8 t-105 -54.79 -52.41 62.74 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.19 -46.08 75.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.355 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.501 HG22 ' CE2' ' A' ' 13' ' ' TYR . 95.6 m -70.89 -18.53 62.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -87.51 -35.47 18.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.295 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.421 HG23 ' NE1' ' A' ' 20' ' ' TRP . 1.9 p -84.69 58.29 4.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.424 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.5 p -139.55 161.51 56.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.381 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 123.55 7.96 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.537 1.809 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.33 -153.38 8.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.441 1.088 . . . . 0.0 111.045 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -101.48 -42.99 6.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 0.755 . . . . 0.0 110.326 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.5 p -112.46 45.54 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -68.93 -61.78 1.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.296 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.574 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 4.5 t80 -75.0 -6.53 49.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.8 m -89.81 -33.93 16.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.1 p -70.03 -28.81 65.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.312 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 71.4 m -58.19 -39.77 79.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 108.273 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.2 t -78.0 0.42 24.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.971 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.2 m -128.44 13.87 6.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.598 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -144.02 18.66 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 108.285 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 35.2 m-85 -157.85 173.69 16.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 19.4 t70 -110.1 -103.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 9.5 p -94.91 -52.97 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' A' ' 45' ' ' ALA . 60.4 t -71.99 -72.3 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.562 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -32.82 -34.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 41' ' ' VAL . 9.1 tt0 -74.79 -61.28 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 110.338 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -66.73 -15.22 63.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.264 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.01 -45.13 11.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 48.8 t -71.45 -28.14 63.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 108.3 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.561 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 3.1 mt-30 -55.28 -44.99 76.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.3 mtt -71.42 -43.2 67.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' GLN . 3.7 m -80.38 2.75 23.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -63.4 82.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.5 OUTLIER -91.45 53.41 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 108.334 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.593 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo -74.94 1.61 7.52 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -57.76 -35.23 70.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.552 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 2.1 t70 -80.35 -16.86 53.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.593 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -122.08 -154.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 108.002 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 8' ' ' PRO . 17.7 t80 57.57 119.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.7 p -111.85 96.27 32.6 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.5 Cg_endo -74.99 -9.68 20.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.55 -6.49 57.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.0 t -143.51 39.97 1.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.419 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.4 t -145.78 -179.54 6.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 108.313 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.41 -34.04 12.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -84.85 143.0 29.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.04 -12.41 39.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.525 1.14 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -101.7 142.98 32.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.35 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.433 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 53.9 p -84.66 -38.73 19.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -64.95 -49.8 68.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.47 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -69.64 -34.61 74.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -61.12 -57.83 10.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.423 ' NE1' HG21 ' A' ' 24' ' ' THR . 2.9 t-105 -55.01 -52.7 62.34 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.25 -58.11 8.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.401 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.0 m -56.84 -17.43 9.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -90.04 -39.17 13.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 108.284 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.423 HG21 ' NE1' ' A' ' 20' ' ' TRP . 0.9 OUTLIER -84.51 59.1 5.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.427 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.1 p -143.34 163.28 38.01 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.415 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 127.64 10.83 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.541 1.811 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.23 -143.95 4.21 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 29' ' ' THR . 19.2 pt20 -111.16 -42.83 3.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 110.31 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.45 ' CA ' ' HB ' ' A' ' 32' ' ' THR . 19.0 p -112.56 42.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -64.1 -60.22 3.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.246 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.563 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 15.1 t80 -75.19 -16.15 60.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.45 ' HB ' ' CA ' ' A' ' 29' ' ' THR . 2.3 m -73.08 -39.82 65.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.458 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.3 p -74.25 -21.34 59.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 108.291 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.6 m -65.81 -11.7 48.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.275 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 t -113.66 0.93 14.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.3 p -114.22 -39.53 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.604 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -93.93 24.65 4.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 108.339 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 19.5 m-85 -157.17 170.58 22.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 13.2 t0 -111.03 -104.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 8.2 p -93.73 -53.59 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.527 ' O ' ' N ' ' A' ' 45' ' ' ALA . 43.7 t -70.72 -66.56 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.592 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -36.34 -30.84 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.534 1.146 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 41' ' ' VAL . 22.4 tt0 -79.06 -61.29 2.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -16.89 63.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.02 -45.31 11.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.589 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 50.5 t -76.26 -24.61 54.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 108.303 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.563 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 4.6 mt-30 -62.3 -53.5 54.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 49' ' ' SER . 13.6 ptm -66.94 -32.03 73.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 51' ' ' GLN . 0.5 OUTLIER -95.81 10.07 38.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 109.998 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -62.4 82.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 49' ' ' SER . 16.6 tt0 -93.75 64.35 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 108.33 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 50.07 2.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.788 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 4' ' ' ASP . 7.1 pt-20 -85.26 -45.71 11.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.479 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 5.0 m-20 -74.76 -17.37 60.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.471 ' CD1' ' HB2' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -117.11 -155.43 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 108.012 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.521 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 17.2 t80 57.35 119.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 76.1 p -111.15 96.81 32.23 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.415 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.0 -1.18 10.89 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.541 1.811 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -87.15 -16.05 36.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.4 t -134.56 39.75 3.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.414 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -150.23 154.38 37.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 108.287 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.35 50.47 1.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.596 ' CD1' ' SG ' ' A' ' 37' ' ' CYS . 31.5 m-85 -142.19 130.82 22.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -97.55 23.61 35.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.423 ' HB2' ' CG2' ' A' ' 18' ' ' THR . 1.1 m-20 -156.28 142.64 18.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 0.767 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.521 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 89.1 p -82.02 -34.3 29.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.89 -50.55 66.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.423 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 1.7 t -66.47 -32.46 73.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.423 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.52 -60.7 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.46 ' CE3' ' CZ ' ' A' ' 38' ' ' PHE . 4.3 t-105 -55.51 -48.99 73.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 107.969 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.53 -63.4 1.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 83.7 m -54.65 -19.54 6.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -82.11 -45.14 15.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 108.29 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.426 HG21 ' NE1' ' A' ' 20' ' ' TRP . 2.6 p -84.51 69.46 10.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.1 p -147.17 161.07 37.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 121.53 6.64 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.791 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.57 -166.28 32.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -84.04 -33.23 24.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 0.742 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 62.7 p -114.43 47.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 110.381 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.5 t -68.47 -51.79 39.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 108.329 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.585 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 21.4 t80 -88.72 -17.81 29.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.8 m -72.86 -40.16 65.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.438 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -69.36 -21.88 63.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 108.301 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.7 m -68.5 -8.88 45.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 108.313 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.4 t -115.93 1.79 13.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.992 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 p -107.13 -45.43 4.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.596 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 1.0 OUTLIER -93.94 28.4 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 108.278 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 28.0 m-85 -158.4 168.51 26.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.429 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 18.5 t70 -110.95 -104.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 9.0 p -93.81 -54.62 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.458 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 47.6 t -71.53 -63.16 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.591 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -36.36 -32.51 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 111.052 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' VAL . 1.7 tm-20 -80.01 -55.04 5.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.6 -20.05 66.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.14 -43.89 12.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.567 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 47.8 t -74.55 -24.41 58.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 108.276 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.585 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 4.2 mt-30 -58.58 -49.77 76.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -40.7 95.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.4 t -74.99 -22.49 58.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -49.64 98.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -102.08 54.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 108.32 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.522 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.614 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo -75.01 5.76 3.8 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.451 1.764 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.15 -42.79 91.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.565 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.7 OUTLIER -74.21 -15.25 61.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.614 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -123.22 -154.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 108.019 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.504 ' CD2' ' CB ' ' A' ' 16' ' ' SER . 24.3 t80 57.69 122.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.058 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.4 p -111.67 99.19 43.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.408 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.05 0.65 8.67 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.455 1.766 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -88.83 -14.24 37.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.6 t -135.62 43.85 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.365 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.37 164.13 38.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 108.314 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.62 -33.19 41.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.238 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.556 ' CE1' HG21 ' A' ' 22' ' ' THR . 14.2 m-85 -84.86 143.69 28.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -98.15 -27.76 8.58 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.103 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 5.7 m-20 -88.46 142.89 27.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.504 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 28.5 p -82.5 -33.77 28.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.98 -48.21 59.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.431 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -71.72 -33.54 68.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -61.26 -56.76 16.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -57.19 -50.59 72.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.013 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -51.15 68.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.404 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.556 HG21 ' CE1' ' A' ' 13' ' ' TYR . 87.1 m -63.82 -19.56 65.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.383 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.77 -35.47 19.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.325 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.9 p -84.32 60.65 6.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.405 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.1 p -138.7 160.32 63.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.446 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 122.76 7.39 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.54 1.811 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.21 -144.69 4.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -109.91 -45.96 3.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 110.264 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.5 p -109.45 41.52 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.392 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 t -65.57 -58.17 6.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 108.307 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.585 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 2.4 t80 -76.86 -4.21 42.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -93.56 -34.01 13.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.373 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.9 p -67.12 -29.56 69.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 108.317 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 72.6 m -57.79 -39.18 76.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 108.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.5 p -76.61 0.34 20.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 m -127.38 9.99 6.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.599 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -140.1 17.59 2.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 108.306 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 39.6 m-85 -158.03 173.34 16.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.434 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 38.1 t0 -110.01 -104.03 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 3.7 p -94.99 -50.72 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 43' ' ' GLU . 21.3 t -72.03 -74.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.594 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -33.83 -33.05 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 41' ' ' VAL . 18.6 tt0 -76.92 -60.65 2.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -65.97 -18.15 65.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.39 -48.99 8.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 52.2 t -65.86 -28.41 68.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 108.337 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.566 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 2.8 mt-30 -56.93 -49.14 76.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.8 mtm -64.78 -48.39 74.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 51' ' ' GLN . 11.3 t -67.9 -21.08 65.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.973 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -45.8 95.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' SER . 13.7 tt0 -112.4 53.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 108.34 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.52 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.573 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo -75.03 0.47 8.88 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.5 1.79 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.73 -34.1 72.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.421 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 1.9 t70 -78.9 -30.51 44.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.573 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -102.94 -158.95 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 107.992 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 23.8 t80 57.71 120.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.443 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 65.1 p -109.61 99.9 39.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.346 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.5 Cg_endo -74.99 0.97 8.25 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -90.4 -12.92 36.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.443 ' CG2' ' OG1' ' A' ' 7' ' ' THR . 3.2 t -138.02 45.41 2.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.47 148.82 23.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 108.294 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.91 -32.93 74.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.519 ' CZ ' HG22 ' A' ' 22' ' ' THR . 15.6 m-85 -89.92 131.58 35.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -97.13 10.19 65.57 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.508 1.13 . . . . 0.0 111.055 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -119.59 140.72 50.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.747 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.564 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -79.91 -32.51 40.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.021 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -64.95 -60.84 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.3 t -61.48 -30.24 70.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.378 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -65.6 -62.14 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.241 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.42 ' CZ3' ' HZ3' ' A' ' 5' ' ' TRP . 4.7 t-105 -54.85 -47.1 74.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 107.985 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.83 -64.18 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.519 HG22 ' CZ ' ' A' ' 13' ' ' TYR . 10.1 m -54.65 -21.11 9.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.423 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.428 ' SG ' ' C ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -83.22 -42.72 16.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 108.293 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.7 p -84.63 68.26 10.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.367 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 p -148.86 158.93 38.82 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 123.52 7.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.27 -163.49 26.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -91.33 -40.56 11.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 0.735 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.1 p -110.53 44.93 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 t -69.84 -56.27 7.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 108.248 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.588 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 53.3 t80 -72.79 -24.09 60.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.1 m -70.53 -34.57 72.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.423 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.428 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -74.85 -22.71 58.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 108.306 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.7 m -68.84 -8.47 43.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 108.285 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.3 t -116.24 1.61 13.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.99 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.5 t -105.75 -47.39 3.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.535 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 1.3 m -93.56 30.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 108.33 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.59 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 23.4 m-85 -158.3 169.25 24.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.429 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 17.8 t70 -112.89 -105.1 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 9.8 p -93.96 -55.02 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.497 ' O ' ' N ' ' A' ' 45' ' ' ALA . 59.6 t -71.88 -57.57 7.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.59 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -41.01 -31.85 0.51 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' GLN . 4.0 tm-20 -81.4 -54.74 5.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.776 . . . . 0.0 110.28 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.89 -19.55 65.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.4 -44.87 11.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 42.3 t -76.83 -21.38 55.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 108.285 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.588 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 1.0 OUTLIER -64.34 -47.46 79.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -41.02 73.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.6 t -73.98 -30.74 62.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -45.49 105.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -103.95 53.25 0.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.351 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 108.309 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.567 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo -74.98 0.15 9.25 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 111.044 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -57.32 -30.52 64.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.509 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.9 OUTLIER -84.79 -21.65 29.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.567 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -117.79 -153.33 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 107.977 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 8' ' ' PRO . 19.9 t80 58.95 124.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 49.3 p -112.58 95.05 30.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.401 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.06 0.29 9.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.463 1.77 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.88 -5.31 55.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.6 t -145.14 45.39 1.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 110.431 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -160.73 164.74 31.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 108.254 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.433 ' C ' ' CD1' ' A' ' 13' ' ' TYR . . . -96.56 52.11 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.528 ' CD2' ' HA ' ' A' ' 19' ' ' ALA . 29.6 m-85 -144.96 138.75 27.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -96.01 -36.25 5.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.464 ' HB2' ' CG2' ' A' ' 18' ' ' THR . 41.3 m-20 -99.39 150.96 21.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.8 p -85.08 -38.4 19.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -65.57 -40.87 93.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -72.13 -39.98 68.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 110.37 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.528 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . . . -57.52 -57.08 14.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.518 ' CD1' HG22 ' A' ' 24' ' ' THR . 2.3 t-105 -56.78 -45.77 81.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 108.015 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.28 -59.8 4.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.394 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.2 m -56.52 -19.42 15.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.59 -38.73 18.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 108.326 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.518 HG22 ' CD1' ' A' ' 20' ' ' TRP . 19.5 p -84.95 47.34 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.7 p -136.1 160.76 65.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.376 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 119.73 5.75 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.446 1.761 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -160.48 -138.88 2.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.88 -31.39 8.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.2 p -126.97 55.16 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.371 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.3 t -70.38 -32.7 70.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 108.303 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.564 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 48.5 t80 -109.04 -19.27 13.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.6 m -81.62 -25.29 35.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.446 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.9 p -73.55 -42.08 62.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 108.31 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 80.4 m -59.16 -17.69 29.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 108.325 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.2 t -89.02 0.65 56.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.0 m -144.24 17.74 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.027 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.52 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -135.11 15.7 3.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 108.31 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 67.0 m-85 -156.4 175.45 13.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -102.29 -85.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.6 p -130.47 -42.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.533 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 3.2 t -73.92 -51.25 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.562 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -62.94 -36.28 93.21 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.437 ' N ' ' HB3' ' A' ' 38' ' ' PHE . 28.9 tt0 -73.53 -45.52 53.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -74.94 -25.91 59.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 41' ' ' VAL . . . -83.25 -37.09 23.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 48.8 t -74.11 -28.28 61.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 108.335 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.564 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 16.6 mt-30 -54.85 -52.79 61.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 mmm -66.86 -29.54 69.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.9 -36.33 59.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.32 109.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.81 53.32 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.1 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 108.279 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.518 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.585 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo -74.99 1.23 7.96 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -58.87 -31.65 68.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.553 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.6 OUTLIER -84.23 -14.39 50.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.585 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -124.71 -154.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.675 ' CD2' ' CB ' ' A' ' 16' ' ' SER . 22.9 t80 58.07 121.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.403 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 77.5 p -110.79 99.63 42.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.382 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.04 1.12 8.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.523 1.801 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -89.69 -17.34 28.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 10' ' ' THR . 1.7 t -131.43 39.77 3.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.395 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 t -150.09 149.35 30.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.315 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.01 -10.97 44.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.525 ' CZ ' HG22 ' A' ' 22' ' ' THR . 50.3 m-85 -108.97 153.51 23.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.21 -24.69 6.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.594 ' O ' ' CZ ' ' A' ' 6' ' ' PHE . 2.6 m-20 -89.2 145.96 25.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.675 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -88.47 -31.9 18.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -70.49 -54.47 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -41.51 96.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -55.97 -56.88 15.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.572 ' CD1' HG23 ' A' ' 24' ' ' THR . 1.9 t-105 -54.69 -46.43 74.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 108.024 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.31 -56.11 21.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.375 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.525 HG22 ' CZ ' ' A' ' 13' ' ' TYR . 2.9 m -61.87 -29.46 70.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -72.25 -39.84 68.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 108.28 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.572 HG23 ' CD1' ' A' ' 20' ' ' TRP . 4.3 p -84.59 72.65 10.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.418 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.3 p -150.0 157.9 37.34 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 120.75 6.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.02 -152.36 7.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.2 -44.07 5.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 0.74 . . . . 0.0 110.341 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.3 p -111.18 40.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.368 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.1 t -63.9 -58.07 7.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.262 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -65.92 -34.24 77.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.8 m -64.84 -34.23 77.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.412 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -63.63 -39.12 93.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 108.32 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.452 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 77.3 m -59.23 -36.19 75.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 108.304 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.9 t -77.95 0.79 22.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -129.63 10.56 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.603 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -139.96 18.26 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 108.3 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 37.7 m-85 -157.84 172.27 18.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.431 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 40.3 t0 -108.66 -104.35 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.431 ' N ' ' CG ' ' A' ' 39' ' ' ASP . 7.0 p -94.66 -51.76 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' A' ' 45' ' ' ALA . 26.1 t -71.51 -74.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.56 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -32.61 -34.65 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 41' ' ' VAL . 9.3 tt0 -74.3 -57.11 4.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' VAL . 6.4 pt20 -71.71 -15.89 62.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.6 -45.16 12.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.492 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 46.5 t -71.83 -28.04 63.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 108.321 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -49.13 71.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.9 mmt -64.97 -49.89 68.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' GLN . 1.9 m -67.12 -17.56 64.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -48.3 94.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' SER . 12.2 tt0 -110.27 54.48 0.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 108.321 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.4 t30 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.562 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo -75.03 0.03 9.42 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -26.33 60.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.515 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 3.0 t70 -88.12 -17.93 29.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.572 ' CD1' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -123.02 -153.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.5 ' CD2' ' CB ' ' A' ' 16' ' ' SER . 19.6 t80 58.63 126.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.7 p -116.52 98.12 51.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.372 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.4 Cg_endo -74.98 0.67 8.61 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.477 1.777 . . . . 0.0 111.035 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.29 -3.34 53.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.3 t -144.96 44.69 1.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 110.418 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.74 167.92 28.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.299 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.92 -29.82 35.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.366 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.422 ' CZ ' HG22 ' A' ' 22' ' ' THR . 26.8 m-85 -84.96 142.54 29.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.06 -21.18 12.15 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -96.04 148.24 22.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.5 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 9.7 p -87.94 -40.9 13.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.02 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.87 -48.14 75.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -69.75 -36.13 75.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.382 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -59.87 -57.41 13.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.402 ' CZ3' ' HZ3' ' A' ' 5' ' ' TRP . 2.1 t-105 -56.7 -49.18 75.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 108.001 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.85 -56.82 15.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.422 HG22 ' CZ ' ' A' ' 13' ' ' TYR . 96.1 m -60.89 -18.44 56.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.88 -38.22 23.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 108.278 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -84.29 66.41 9.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.9 p -153.24 161.84 28.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.425 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 121.54 6.65 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.46 1.768 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.68 -154.55 7.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -95.79 -35.6 11.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.786 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.1 p -123.68 54.89 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.385 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.6 t -70.54 -53.73 14.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 108.338 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.569 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 8.4 t80 -89.03 -6.05 57.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 111.03 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.3 m -91.05 -28.5 17.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.4 p -67.98 -42.98 79.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 108.33 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.402 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 67.8 m -56.02 -30.15 61.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 108.299 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 p -80.46 0.4 33.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.027 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.08 17.48 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.977 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.52 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -141.3 17.13 2.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 108.275 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 46.5 m-85 -156.96 169.85 23.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -98.34 -82.89 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.532 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 1.6 p -129.99 -50.3 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.572 ' HB ' ' CD1' ' A' ' 5' ' ' TRP . 5.2 t -72.77 -38.71 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.348 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.434 ' HA2' ' CE3' ' A' ' 5' ' ' TRP . . . -66.18 -37.1 92.68 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.525 1.14 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.436 ' N ' ' HB3' ' A' ' 38' ' ' PHE . 15.4 tt0 -84.36 -44.21 13.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 0.809 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.532 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 4.8 mm100 -65.22 -29.39 70.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 41' ' ' VAL . . . -84.93 -36.45 21.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 50' ' ' ALA . 43.9 t -74.88 -28.82 60.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 108.261 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.569 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 2.0 mt-30 -57.7 -47.1 83.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.28 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.3 mtm -69.41 -48.27 61.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.7 t -64.94 -27.95 69.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.977 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -50.88 106.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.45 52.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 108.301 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.4 m120 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.583 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.2 Cg_endo -75.08 1.03 8.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.778 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -40.04 79.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.419 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.5 OUTLIER -73.64 -33.53 64.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.583 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -100.06 -160.37 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 107.988 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 19.2 t80 58.29 125.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 44.6 p -108.89 100.69 40.93 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.372 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 1.22 8.0 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.779 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.77 -9.89 36.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.4 t -145.17 41.52 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.357 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.6 t -134.85 160.4 38.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 108.305 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.58 -47.03 70.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CE2' HG22 ' A' ' 22' ' ' THR . 17.9 m-85 -98.46 162.48 13.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.59 0.4 42.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -102.13 135.9 42.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 0.729 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.567 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 2.7 p -79.86 -34.54 39.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -65.11 -53.67 41.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.55 -35.09 78.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.389 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -59.92 -57.56 12.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -56.97 -48.55 78.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 108.013 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.417 ' O ' ' CG2' ' A' ' 25' ' ' THR . 0.8 OUTLIER -54.44 -60.49 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.332 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.558 HG22 ' CE2' ' A' ' 13' ' ' TYR . 46.9 m -56.53 -24.6 47.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -78.39 -41.19 33.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 108.312 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 p -84.58 58.91 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.417 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.417 ' CG2' ' O ' ' A' ' 21' ' ' THR . 70.9 p -137.11 153.59 75.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 110.421 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 127.59 10.77 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.482 1.78 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.12 -143.2 3.91 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -109.11 -26.59 10.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.418 ' CA ' ' HB ' ' A' ' 32' ' ' THR . 35.4 p -121.95 40.89 3.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 t -57.66 -68.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -68.01 -26.82 66.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.418 ' HB ' ' CA ' ' A' ' 29' ' ' THR . 8.7 m -64.27 -31.54 72.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.403 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.425 ' O ' ' SG ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -80.75 -23.88 39.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.278 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.4 m -68.94 -8.77 47.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 108.293 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 p -117.0 1.82 12.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.04 -49.2 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.037 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.587 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 75.3 m -93.54 31.35 1.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 108.313 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CE2' ' HB2' ' A' ' 46' ' ' CYS . 14.9 m-85 -157.81 168.56 26.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.426 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 21.7 t70 -113.09 -104.67 0.4 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 9.2 p -95.43 -53.68 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.552 ' O ' ' N ' ' A' ' 45' ' ' ALA . 21.4 t -71.73 -53.49 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.572 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -47.03 -29.96 4.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.52 1.138 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' GLN . 5.2 tt0 -81.94 -59.18 2.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -63.43 -18.47 63.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.9 -45.08 11.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.591 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 42.4 t -75.02 -28.18 60.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 108.274 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 43' ' ' GLU . 1.4 mt-30 -54.46 -45.18 73.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.4 mtt -78.35 -0.58 29.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' GLN . 1.4 m -124.78 7.2 8.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.085 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -62.79 82.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.1 OUTLIER -84.9 67.63 10.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 108.277 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.518 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.566 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo -74.96 1.41 7.74 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.443 1.759 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.26 -33.49 65.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.42 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.5 OUTLIER -77.58 -28.27 51.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.566 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -112.73 -153.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.03 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.582 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 37.8 t80 57.97 121.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.9 p -112.84 95.64 34.4 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.05 1.17 8.06 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.32 -3.88 49.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 t -145.21 40.78 1.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.44 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -146.04 -178.17 5.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.276 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.27 -35.74 12.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.511 ' CE2' HG22 ' A' ' 22' ' ' THR . 4.0 m-30 -87.55 145.59 26.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.13 -4.13 54.02 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.553 ' O ' ' CZ ' ' A' ' 6' ' ' PHE . 27.4 m-20 -102.95 151.05 22.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.582 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 87.9 p -97.4 -34.07 11.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.028 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -72.18 -42.58 65.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -75.67 -36.21 60.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.415 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.421 ' N ' HG22 ' A' ' 18' ' ' THR . . . -60.39 -55.0 38.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.425 ' NE1' HG22 ' A' ' 24' ' ' THR . 1.7 t-105 -57.15 -51.11 70.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 107.978 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.9 -58.47 7.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.511 HG22 ' CE2' ' A' ' 13' ' ' TYR . 13.8 m -57.05 -18.1 12.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.09 -38.31 13.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.31 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.425 HG22 ' NE1' ' A' ' 20' ' ' TRP . 1.4 p -84.28 56.33 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.083 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 p -141.84 158.27 62.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.391 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 127.33 10.58 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.529 1.805 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -169.23 -147.14 5.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 29' ' ' THR . 5.8 pt20 -104.64 -35.04 7.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.417 ' CA ' ' HB ' ' A' ' 32' ' ' THR . 23.7 p -121.79 51.64 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.385 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -66.96 -71.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 108.316 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -69.21 -17.34 63.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 111.028 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.417 ' HB ' ' CA ' ' A' ' 29' ' ' THR . 3.4 m -67.19 -30.61 70.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.3 p -90.46 -16.0 29.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 108.323 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.9 m -65.75 -10.46 37.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 108.296 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.5 p -116.01 1.48 13.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.2 m -108.33 -43.91 4.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.16 29.8 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 108.274 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.499 ' HB3' ' C ' ' A' ' 42' ' ' GLY . 48.6 m-85 -157.61 174.69 14.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.42 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 33.2 t0 -116.41 -104.48 0.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 0.9 OUTLIER -93.76 -66.41 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 45' ' ' ALA . 60.7 t -68.57 -44.0 83.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.499 ' C ' ' HB3' ' A' ' 38' ' ' PHE . . . -48.49 -32.92 10.94 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -85.12 -50.13 7.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.42 ' CG ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -63.5 -20.97 66.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.318 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.58 -39.18 16.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 50' ' ' ALA . 34.2 t -75.95 -31.48 59.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.328 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.92 -47.93 73.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 27.4 mmt -67.65 -38.79 84.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 51' ' ' GLN . 3.3 m -88.91 10.49 21.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.974 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -66.93 72.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' SER . 2.2 mp0 -84.97 66.48 9.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.24 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 108.334 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.612 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo -74.97 1.47 7.69 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.533 1.807 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -56.13 -38.86 71.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.506 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 2.4 t70 -71.99 -23.88 61.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.612 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -114.79 -154.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.575 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 24.3 t80 58.05 124.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.1 p -109.19 100.56 41.36 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -5.08 16.34 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.531 1.806 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.81 -11.96 49.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 t -144.66 43.17 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.4 t -135.16 161.02 36.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 108.306 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.62 -45.98 67.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.54 ' CE2' HG22 ' A' ' 22' ' ' THR . 46.1 m-85 -98.34 159.12 15.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.54 6.06 55.05 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 2.5 m-20 -110.01 141.16 43.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.575 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 50.0 p -85.14 -34.51 22.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.013 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.55 -53.24 36.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.452 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 0.7 OUTLIER -67.95 -33.48 74.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -61.54 -57.74 10.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.423 ' CZ3' ' HZ3' ' A' ' 5' ' ' TRP . 3.4 t-105 -56.53 -51.68 67.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 108.022 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.83 -60.59 3.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.54 HG22 ' CE2' ' A' ' 13' ' ' TYR . 73.3 m -54.79 -18.56 4.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.402 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.03 -39.22 14.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.404 HG21 ' NE1' ' A' ' 20' ' ' TRP . 21.5 p -84.06 62.05 6.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.408 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.403 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 7.8 p -151.89 155.59 33.78 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.37 4.88 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.451 1.764 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.82 -130.98 1.19 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -112.08 -30.42 7.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.1 p -127.68 57.44 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 34.5 t -70.95 -39.65 72.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 108.296 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -107.61 -23.27 12.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.6 m -65.75 -29.42 69.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.0 p -87.51 -19.49 27.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 108.305 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.8 m -65.65 -11.33 43.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 108.309 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.2 p -115.29 1.97 13.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.17 -42.08 4.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.641 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 60.8 m -95.06 26.75 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 108.258 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.641 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 18.7 m-85 -157.32 167.91 28.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 29.7 t0 -109.58 -104.54 0.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 9.7 p -94.6 -50.56 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 45' ' ' ALA . 14.0 t -69.77 -70.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.629 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -35.15 -32.0 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.55 1.156 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 41' ' ' VAL . 1.8 tt0 -73.44 -63.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -68.59 -16.26 63.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.39 -43.09 13.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 47.5 t -74.88 -33.98 62.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 108.262 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 43' ' ' GLU . 1.2 mp0 -54.12 -38.24 65.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.5 mmm -76.24 -23.47 54.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.02 -27.35 19.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -45.97 101.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -117.99 53.17 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 25' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 108.269 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.575 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.2 Cg_endo -74.92 1.07 8.1 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.526 1.803 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 4' ' ' ASP . 7.1 pt-20 -59.48 -38.61 81.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.337 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 3' ' ' GLU . 1.2 m-20 -79.63 -32.29 41.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.575 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -102.88 -154.66 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 108.018 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 8' ' ' PRO . 19.9 t80 57.98 120.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.9 p -112.83 94.3 28.4 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.449 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.1 Cg_endo -74.99 -11.58 21.49 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.758 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.34 -7.13 53.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.7 t -144.87 39.86 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.424 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -149.95 163.23 38.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 108.257 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.508 ' C ' ' CD1' ' A' ' 13' ' ' TYR . . . -97.3 52.46 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.601 ' CD1' ' SG ' ' A' ' 37' ' ' CYS . 15.0 m-85 -146.81 142.96 28.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -97.77 -29.63 7.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.428 ' HB2' ' CG2' ' A' ' 18' ' ' THR . 14.8 m-20 -104.49 152.49 22.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.505 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 79.5 p -87.42 -36.85 17.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -64.85 -40.6 95.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.428 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 1.5 t -71.19 -41.38 70.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.42 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.436 ' CB ' ' CE1' ' A' ' 6' ' ' PHE . . . -56.26 -57.15 13.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.407 ' NE1' HG21 ' A' ' 24' ' ' THR . 2.0 t-105 -55.23 -50.11 70.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 108.01 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.7 -54.6 39.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.6 m -62.48 -18.25 61.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.385 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -82.89 -39.84 21.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 108.3 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.407 HG21 ' NE1' ' A' ' 20' ' ' TRP . 7.3 p -84.82 59.15 5.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.1 p -133.66 157.86 76.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.35 11.41 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.83 -157.75 17.84 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -97.75 -14.45 20.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.9 p -132.34 45.5 2.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.424 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -64.7 -62.75 1.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.29 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.572 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 29.0 t80 -72.39 -22.81 61.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.0 m -68.98 -40.96 78.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.386 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.434 ' O ' ' SG ' ' A' ' 23' ' ' CYS . 1.3 t -68.33 -25.87 65.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 108.266 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.3 m -67.05 -9.57 40.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 108.339 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.9 t -116.0 1.54 13.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.036 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.13 -44.32 4.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.601 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -93.69 28.62 2.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 108.334 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.474 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 54.2 m-85 -158.0 173.21 17.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.424 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 18.1 t70 -112.86 -106.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 9.8 p -96.36 -55.43 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 45' ' ' ALA . 59.8 t -71.56 -52.8 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.474 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -46.59 -30.87 4.82 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -82.39 -53.28 6.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -22.45 66.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.16 -40.11 15.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 50' ' ' ALA . 38.5 t -74.3 -28.87 61.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 108.278 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.572 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 8.1 mt-30 -54.35 -40.93 68.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.4 mmt -69.82 -37.0 76.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.41 -25.26 46.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.958 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -45.41 101.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -100.79 53.57 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 108.296 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.597 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo -75.04 0.95 8.31 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.539 1.81 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -60.15 -28.86 68.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.546 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.6 OUTLIER -88.7 -12.14 43.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.263 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.597 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -126.34 -151.9 0.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 108.011 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.6 ' CZ ' ' O ' ' A' ' 15' ' ' ASP . 13.3 t80 59.12 128.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.9 p -110.07 99.95 41.58 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.6 Cg_endo -74.96 1.3 7.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.78 . . . . 0.0 111.039 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -93.75 -12.7 28.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 36' ' ' SER . 4.2 t -144.01 43.79 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 35.4 t -134.78 167.25 21.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 108.311 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.44 -34.7 78.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.547 ' CD2' HG22 ' A' ' 18' ' ' THR . 59.3 m-85 -121.44 173.5 7.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.51 -5.19 52.12 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.136 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.6 ' O ' ' CZ ' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -99.95 147.01 26.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.573 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -82.27 -27.94 32.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -71.9 -65.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.547 HG22 ' CD2' ' A' ' 13' ' ' TYR . 1.1 t -54.86 -35.64 64.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.375 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.533 ' CB ' ' CE1' ' A' ' 6' ' ' PHE . . . -65.32 -59.64 3.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.435 ' CE3' ' CZ ' ' A' ' 38' ' ' PHE . 2.2 t-105 -54.51 -41.99 70.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 108.025 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.57 -50.61 73.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.417 ' O ' ' OG1' ' A' ' 25' ' ' THR . 2.7 m -67.82 -19.56 65.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.352 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -82.46 -41.21 20.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.298 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 20' ' ' TRP . 4.0 p -84.8 55.63 3.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.343 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 22' ' ' THR . 7.8 p -141.13 158.46 64.44 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 127.49 10.78 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.431 1.753 . . . . 0.0 111.042 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.05 -145.01 4.38 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -105.26 -33.75 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 p -123.15 51.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.416 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 t -65.21 -67.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 108.289 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.649 ' HH ' ' NE2' ' A' ' 47' ' ' GLN . 32.7 t80 -65.56 -26.53 67.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.1 m -72.87 -41.52 64.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.403 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.418 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -54.98 -38.62 68.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 108.319 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.443 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 66.3 m -57.35 -36.44 71.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 108.29 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.9 t -77.76 0.87 21.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -132.52 12.85 4.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.566 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 10.5 m -141.17 15.56 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.286 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 45.3 m-85 -158.13 171.24 20.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.428 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 39.6 t0 -106.09 -104.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.431 HG13 ' N ' ' A' ' 41' ' ' VAL . 7.8 p -95.79 -49.96 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' A' ' 45' ' ' ALA . 24.4 t -72.11 -75.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.583 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -32.85 -34.7 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 41' ' ' VAL . 14.7 tt0 -74.53 -59.58 2.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -67.71 -18.06 64.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.73 -46.63 10.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.487 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 42.2 t -65.78 -24.61 66.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.331 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.649 ' NE2' ' HH ' ' A' ' 31' ' ' TYR . 5.2 mt-30 -55.63 -49.14 73.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.68 -43.48 93.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 51' ' ' GLN . 1.0 OUTLIER -76.35 -8.9 58.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -59.11 86.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' SER . 8.0 tm0? -100.49 56.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 108.278 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.561 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo -74.98 0.63 8.66 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.24 -29.79 66.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.21 -31.51 33.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.561 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -106.04 -152.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.601 ' CZ ' ' O ' ' A' ' 15' ' ' ASP . 22.0 t80 58.45 124.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.0 p -113.72 98.92 48.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.418 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.2 Cg_endo -75.04 0.82 8.46 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -89.76 -12.0 40.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.3 t -138.28 47.8 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 36' ' ' SER . 0.7 OUTLIER -159.53 153.72 23.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 0.0 108.307 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.41 -31.57 71.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.521 ' CZ ' HG23 ' A' ' 22' ' ' THR . 2.7 m-85 -84.79 150.3 25.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.35 -21.64 7.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.544 1.153 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.601 ' O ' ' CZ ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -91.79 161.43 14.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.516 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 7.3 p -98.19 -40.42 8.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -64.89 -48.96 72.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -70.39 -37.04 74.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -60.34 -56.46 21.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -56.27 -49.61 73.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 108.004 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.06 -48.63 73.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.521 HG23 ' CZ ' ' A' ' 13' ' ' TYR . 88.8 m -68.59 -21.43 64.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.43 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.458 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -81.43 -39.76 24.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 108.286 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.5 p -84.96 66.41 9.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 p -145.17 156.5 54.41 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.41 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 130.06 12.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -178.57 -148.87 7.8 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.562 1.164 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -101.43 -27.94 12.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 110.27 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.7 p -122.26 52.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.4 t -73.62 -49.79 24.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 108.336 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.583 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 23.0 t80 -86.93 -21.86 26.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.4 m -75.57 -39.69 57.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -44.95 75.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.267 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.458 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 62.0 m -58.36 -32.4 68.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.0 m -78.65 1.01 24.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 109.981 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.403 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 6.4 p -136.95 14.46 3.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.508 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -140.27 16.26 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.306 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.569 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 51.7 m-85 -157.03 166.35 33.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.76 -83.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -129.75 -45.09 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.529 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 13.1 t -74.33 -46.03 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.569 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -59.76 -40.15 96.25 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.499 1.124 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.468 ' N ' ' HB3' ' A' ' 38' ' ' PHE . 13.6 tt0 -75.04 -50.12 17.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 0.788 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 1.8 pp0? -65.11 -27.55 68.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 41' ' ' VAL . . . -84.23 -34.25 23.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 50' ' ' ALA . 43.5 t -74.61 -29.39 61.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 108.304 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.583 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 12.4 mt-30 -54.36 -46.99 73.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.245 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.9 mtt -65.31 -33.04 75.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -79.43 -28.93 41.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -46.03 98.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 49' ' ' SER . 13.5 tt0 -108.01 53.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 108.303 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.6 m120 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.61 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo -74.91 1.58 7.53 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 0.0 111.054 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -58.18 -43.75 87.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.432 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 9.4 t0 -70.79 -32.14 69.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.61 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -100.36 -162.65 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 22.4 t80 57.87 118.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.496 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 44.4 p -110.21 99.64 40.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.2 Cg_endo -75.02 -8.57 20.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -78.2 -20.1 52.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.496 ' CG2' ' OG1' ' A' ' 7' ' ' THR . 3.1 t -128.59 41.42 3.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.44 173.87 12.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.26 -35.24 20.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -85.61 154.95 21.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -111.85 -9.29 21.03 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.517 1.135 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -105.09 145.81 30.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 0.736 . . . . 0.0 109.314 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.581 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 1.6 p -85.73 -32.77 21.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -65.11 -56.1 14.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 t -65.37 -35.06 79.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -62.98 -58.74 6.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.44 ' NE1' HG21 ' A' ' 24' ' ' THR . 3.2 t-105 -54.6 -49.28 70.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 107.995 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.04 -63.24 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.467 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.7 m -54.64 -18.93 5.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.423 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.429 ' SG ' ' C ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -84.39 -41.87 16.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 108.285 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.44 HG21 ' NE1' ' A' ' 20' ' ' TRP . 1.0 OUTLIER -86.03 56.53 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.392 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.3 p -136.76 154.14 76.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 125.99 9.65 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.515 1.797 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.94 -137.02 2.15 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -112.58 -26.94 8.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.3 p -126.02 51.6 1.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.406 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 t -66.6 -67.77 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 108.31 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.588 ' HH ' ' NE2' ' A' ' 47' ' ' GLN . 33.4 t80 -67.59 -25.15 65.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.949 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -68.1 -42.34 80.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.429 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -68.78 -23.82 64.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 108.307 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 35.1 m -70.26 -7.28 41.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 108.308 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.8 t -116.14 1.41 13.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.3 -47.31 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.991 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.521 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 1.1 m -93.82 30.77 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 108.258 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.547 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 19.0 m-85 -158.21 168.16 27.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.408 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 31.0 t0 -113.49 -104.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.085 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 10.1 p -95.32 -55.59 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 45' ' ' ALA . 7.2 t -73.11 -48.7 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.547 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -46.53 -38.7 9.64 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 47' ' ' GLN . 3.0 tt0 -85.1 -41.48 15.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 0.775 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 4.0 mm-40 -64.74 -27.7 69.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.22 -44.43 12.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 50' ' ' ALA . 15.6 t -67.85 -33.77 75.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 108.282 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.588 ' NE2' ' HH ' ' A' ' 31' ' ' TYR . 2.9 mt-30 -54.25 -38.78 66.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.9 mtt -74.63 -34.49 62.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 m -92.41 7.3 43.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -62.09 87.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -97.27 64.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.124 . . . . 0.0 108.279 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.573 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.2 Cg_endo -75.08 0.46 8.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -40.44 74.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.343 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -77.37 -40.89 42.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.573 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -92.34 -154.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 108.01 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.6 ' CE1' ' CB ' ' A' ' 19' ' ' ALA . 27.6 t80 58.04 117.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.1 p -113.25 93.8 27.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.416 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.551 ' HG3' ' CE2' ' A' ' 6' ' ' PHE . 18.4 Cg_endo -74.94 -13.88 21.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.65 -10.07 59.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -141.07 41.1 1.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.343 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.48 172.36 13.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 108.327 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.8 -37.99 23.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.517 ' CZ ' HG22 ' A' ' 22' ' ' THR . 28.5 m-85 -87.03 151.31 23.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -106.45 -13.25 23.07 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.46 ' HB2' ' CG2' ' A' ' 18' ' ' THR . 1.1 m-20 -95.01 142.95 26.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.572 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 60.4 p -82.61 -38.53 23.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.988 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -65.34 -51.44 60.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.46 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -67.16 -35.38 79.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.358 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.6 ' CB ' ' CE1' ' A' ' 6' ' ' PHE . . . -59.89 -59.08 5.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.416 ' CE3' ' CZ ' ' A' ' 38' ' ' PHE . 2.5 t-105 -56.47 -48.77 76.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 108.021 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.01 -56.84 15.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.517 HG22 ' CZ ' ' A' ' 13' ' ' TYR . 95.7 m -60.19 -18.04 45.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -85.79 -38.19 18.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 108.321 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.0 p -84.6 66.22 9.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.388 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.6 p -145.63 156.2 52.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.436 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 123.0 7.54 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.483 1.781 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.5 -158.62 15.88 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.539 1.15 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -87.18 -31.35 20.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 0.739 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.1 p -117.85 50.87 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.437 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.7 t -67.27 -53.79 26.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 108.289 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.573 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 25.2 t80 -85.85 -23.58 27.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.95 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.4 m -69.51 -43.02 73.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.44 ' O ' ' SG ' ' A' ' 23' ' ' CYS . 1.1 t -64.95 -26.27 68.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 108.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.7 m -68.07 -8.31 36.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.28 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.7 t -115.78 1.48 13.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -105.85 -45.82 4.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.027 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -94.04 30.67 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.288 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.463 ' HB3' ' C ' ' A' ' 42' ' ' GLY . 48.9 m-85 -158.28 173.68 16.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.41 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 45.3 t0 -115.24 -105.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 10.5 p -97.15 -55.82 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 45' ' ' ALA . 26.4 t -71.93 -46.06 61.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.463 ' C ' ' HB3' ' A' ' 38' ' ' PHE . . . -53.2 -32.5 43.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 47' ' ' GLN . 4.1 tm-20 -83.44 -50.29 8.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -64.38 -24.29 67.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.598 1.186 . . . . 0.0 110.307 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.16 -38.93 17.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 50' ' ' ALA . 23.6 t -76.63 -27.02 55.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.179 . . . . 0.0 108.307 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.573 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 4.5 mt-30 -54.71 -59.89 4.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.2 mtm -64.82 -9.33 19.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 111.039 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.1 p -97.91 -30.71 12.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -48.86 105.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.97 53.88 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 108.26 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.64 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -84.93 -40.91 16.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -81.59 -15.5 54.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.64 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -115.96 -156.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 107.97 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.695 ' CD2' ' CB ' ' A' ' 16' ' ' SER . 23.5 t80 58.02 125.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.5 p -116.6 98.38 51.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.362 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.02 0.1 9.33 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.51 1.795 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -89.52 -9.87 48.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.0 t -141.08 46.2 1.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.43 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 36' ' ' SER . 1.2 t -157.92 157.02 32.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.286 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.84 -41.5 95.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -84.79 134.21 34.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -96.11 6.44 66.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.584 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -119.11 139.73 51.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 0.75 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.695 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -77.39 -30.31 53.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -68.99 -66.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.51 HG22 ' HB2' ' A' ' 15' ' ' ASP . 1.2 t -55.22 -35.91 65.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -61.44 -62.16 2.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -54.72 -50.55 68.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 107.989 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.538 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -54.37 -58.59 6.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.402 ' O ' ' OG1' ' A' ' 25' ' ' THR . 42.3 m -59.53 -17.98 36.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.44 -37.94 22.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 108.315 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.0 p -83.82 51.46 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 21' ' ' THR . 24.7 p -136.93 161.17 63.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.389 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 122.71 7.36 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.548 1.815 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.31 -157.84 11.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -95.23 -38.9 10.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 0.775 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.1 p -116.24 51.04 0.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.463 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.4 t -72.57 -46.31 54.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 108.306 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.522 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 19.3 t80 -92.19 -11.5 35.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -86.68 -29.99 22.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.9 p -65.65 -41.03 93.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 108.329 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.441 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 43.1 m -55.45 -33.91 64.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 108.299 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.6 t -78.49 0.58 25.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.401 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -138.26 16.86 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.013 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.55 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -142.11 17.06 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 108.284 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.575 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 47.3 m-85 -157.47 174.44 15.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 39' ' ' ASP . 3.3 t0 -104.8 -80.27 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 41' ' ' VAL . 10.0 p -130.57 -47.51 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.533 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 12.3 t -74.5 -46.47 42.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.575 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -59.58 -37.51 92.32 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.418 1.074 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.436 ' N ' ' HB3' ' A' ' 38' ' ' PHE . 16.1 tt0 -78.86 -49.41 12.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -65.68 -26.2 67.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.253 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 41' ' ' VAL . . . -84.47 -33.41 23.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 41.0 t -81.93 -22.07 36.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 108.28 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.522 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 19.1 mt-30 -59.4 -57.96 10.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.0 mtt -69.53 -38.71 77.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.7 t -64.97 -49.08 71.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -48.2 114.33 0.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.07 53.62 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 108.236 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.674 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.994 -0.425 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -58.28 -35.04 71.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.54 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.5 OUTLIER -81.06 -16.49 53.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.674 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -121.66 -155.36 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.526 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 21.2 t80 56.87 117.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.532 ' OG1' HG22 ' A' ' 10' ' ' THR . 50.4 p -110.81 98.07 36.33 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.4 Cg_endo -74.94 -3.6 14.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.49 -4.04 59.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.532 HG22 ' OG1' ' A' ' 7' ' ' THR . 9.1 t -145.07 39.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 110.431 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -148.47 -179.85 7.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.246 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.74 -25.46 14.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 109.238 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.628 ' CZ ' HG21 ' A' ' 22' ' ' THR . 15.2 m-30 -84.78 141.35 30.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.17 -16.22 28.31 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.714 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -104.3 142.99 33.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 0.742 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.526 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 82.7 p -83.96 -39.05 20.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.951 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -64.64 -51.85 60.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.644 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -67.56 -33.8 75.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.419 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.714 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -60.78 -58.84 6.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.557 ' NE1' HG21 ' A' ' 24' ' ' THR . 2.0 t-105 -55.04 -52.96 61.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 107.987 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.652 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -55.9 -37.8 69.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.368 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.628 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 15.4 m -75.31 -18.69 59.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.48 -35.84 14.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.557 HG21 ' NE1' ' A' ' 20' ' ' TRP . 1.9 p -84.57 56.32 3.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 21' ' ' THR . 6.3 p -137.57 158.47 71.86 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 122.59 7.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.64 -144.45 4.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.75 -42.77 3.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.7 p -109.28 41.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.351 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.74 -61.72 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 108.312 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.57 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 11.2 t80 -73.58 -13.94 61.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.4 m -75.83 -40.82 54.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.7 p -74.75 -17.54 60.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 108.288 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.8 m -65.97 -11.09 45.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 108.289 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.1 t -114.59 1.15 14.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.92 -41.9 4.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.003 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.597 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -93.9 25.88 3.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 108.295 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 22.1 m-85 -157.82 171.49 20.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.431 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 12.2 t0 -112.67 -104.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.599 HG13 HG23 ' A' ' 41' ' ' VAL . 7.5 p -93.79 -54.02 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.599 HG23 HG13 ' A' ' 40' ' ' VAL . 74.2 t -71.48 -65.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.59 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -36.1 -31.47 0.04 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 41' ' ' VAL . 1.5 tm-20 -79.72 -59.78 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.742 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.09 -18.89 64.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.82 -41.65 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.564 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 42.1 t -74.18 -29.76 61.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 108.251 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.57 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 13.4 mt-30 -55.45 -52.32 64.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.432 ' HG3' ' N ' ' A' ' 49' ' ' SER . 18.5 ptm -65.68 -32.25 73.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.432 ' N ' ' HG3' ' A' ' 48' ' ' MET . 0.8 OUTLIER -91.27 4.36 52.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -63.04 82.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -93.02 67.12 4.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.247 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 108.299 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.651 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 110.956 -0.44 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -57.67 -29.59 64.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.511 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 9.3 t0 -86.18 -16.63 37.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.651 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -123.09 -154.21 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.011 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.673 ' CE1' ' CB ' ' A' ' 19' ' ' ALA . 31.3 t80 56.89 116.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.417 ' OG1' HG22 ' A' ' 10' ' ' THR . 68.9 p -110.06 99.25 38.52 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -11.13 21.48 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.459 1.768 . . . . 0.0 111.037 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.32 -6.99 53.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.167 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.417 HG22 ' OG1' ' A' ' 7' ' ' THR . 12.2 t -144.33 39.86 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.445 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.479 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -152.77 163.88 38.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 108.304 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.465 ' C ' ' CD1' ' A' ' 13' ' ' TYR . . . -97.43 52.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.479 ' CD1' ' SG ' ' A' ' 11' ' ' CYS . 21.1 m-85 -145.97 143.09 29.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.25 -20.23 16.35 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.486 ' HB2' HG22 ' A' ' 18' ' ' THR . 18.4 m-20 -117.05 147.23 42.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 0.792 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.523 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 92.7 p -80.73 -32.8 35.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -64.81 -49.02 72.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.486 HG22 ' HB2' ' A' ' 15' ' ' ASP . 5.3 t -66.55 -34.92 78.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.673 ' CB ' ' CE1' ' A' ' 6' ' ' PHE . . . -60.27 -60.62 3.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.544 ' CE3' ' CZ ' ' A' ' 38' ' ' PHE . 2.3 t-105 -55.68 -46.85 77.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 107.996 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.91 -60.68 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.368 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 m -58.26 -19.27 32.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.407 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.419 ' SG ' ' C ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -80.0 -41.23 26.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 108.33 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.473 HG21 ' HB3' ' A' ' 49' ' ' SER . 1.5 p -84.57 64.67 8.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.0 p -144.81 156.72 55.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 131.74 14.62 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.474 1.776 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.85 -144.54 5.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -109.35 -25.33 10.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 110.246 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.41 ' CA ' ' HB ' ' A' ' 32' ' ' THR . 63.3 p -124.17 40.66 3.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -56.15 -71.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 108.308 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -65.51 -27.47 68.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.41 ' HB ' ' CA ' ' A' ' 29' ' ' THR . 5.9 m -64.68 -44.27 90.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.39 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.419 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -54.94 -39.35 68.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 108.321 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 82.2 m -62.18 -25.75 67.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 108.332 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 p -94.99 0.75 54.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.403 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.6 OUTLIER -126.27 19.49 7.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.98 -48.61 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 108.327 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 46' ' ' CYS . 69.3 m-85 -87.46 177.58 7.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.15 -104.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.564 HG13 HG23 ' A' ' 41' ' ' VAL . 8.7 p -95.46 -54.21 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.564 HG23 HG13 ' A' ' 40' ' ' VAL . 73.9 t -71.52 -73.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.538 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -33.47 -33.78 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 41' ' ' VAL . 31.5 tt0 -72.87 -57.14 4.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 0.753 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 41' ' ' VAL . 6.7 pt20 -71.97 -14.22 61.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.64 -42.31 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 34.2 t -72.83 -21.24 60.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 108.274 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.489 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -54.55 -49.36 70.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -35.48 81.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.473 ' HB3' HG21 ' A' ' 24' ' ' THR . 1.6 m -84.01 -6.17 59.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -59.08 100.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -90.55 54.81 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 108.281 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.658 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -59.32 -26.53 65.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.578 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 1.9 t70 -90.2 -9.13 49.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.658 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -130.88 -153.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.536 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 29.8 t80 58.0 119.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.522 ' OG1' HG22 ' A' ' 10' ' ' THR . 66.5 p -108.84 100.65 40.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 110.405 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 1.04 8.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.802 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.21 -3.87 56.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.522 HG22 ' OG1' ' A' ' 7' ' ' THR . 8.8 t -144.93 40.16 1.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.373 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.52 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -157.42 162.81 39.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 108.286 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.441 ' C ' ' CD1' ' A' ' 13' ' ' TYR . . . -99.15 53.12 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.524 ' CD2' ' HA ' ' A' ' 19' ' ' ALA . 21.1 m-85 -144.1 140.28 29.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.93 -39.57 5.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 111.057 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.636 ' HB2' HG22 ' A' ' 18' ' ' THR . 0.5 OUTLIER -99.73 149.19 23.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.536 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 60.5 p -83.3 -34.45 25.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.05 -49.95 68.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.636 HG22 ' HB2' ' A' ' 15' ' ' ASP . 3.4 t -67.25 -36.85 82.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.524 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . . . -59.5 -58.81 7.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.547 ' NE1' HG21 ' A' ' 24' ' ' THR . 1.3 t-105 -54.29 -51.71 63.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 107.989 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.627 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -54.79 -51.96 64.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.422 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 92.8 m -61.9 -27.71 69.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.365 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.22 -38.39 35.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 108.325 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.547 HG21 ' NE1' ' A' ' 20' ' ' TRP . 6.1 p -84.23 64.72 8.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.377 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 21' ' ' THR . 17.5 p -140.22 161.78 53.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.386 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 119.24 5.55 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.12 -141.92 3.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.554 1.159 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.05 -46.92 3.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.4 p -111.02 43.53 1.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 1.4 t -67.54 -58.05 5.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 108.254 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.574 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 7.8 t80 -73.47 -8.77 57.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -92.71 -31.08 15.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 30' ' ' CYS . 15.1 p -69.75 -32.53 71.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 108.254 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 73.3 m -55.9 -38.07 69.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 108.275 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.5 t -74.0 -1.26 19.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.952 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 m -125.72 5.36 7.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.52 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -133.97 17.66 3.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 108.322 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 42.5 m-85 -157.09 171.56 20.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 39' ' ' ASP . 1.2 p30 -107.83 -104.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.578 HG13 HG23 ' A' ' 41' ' ' VAL . 8.3 p -94.65 -53.45 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.578 HG23 HG13 ' A' ' 40' ' ' VAL . 58.1 t -71.3 -71.61 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.583 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -33.19 -34.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 41' ' ' VAL . 2.9 tm-20 -74.93 -60.07 2.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -15.92 63.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.49 -48.97 8.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 51.4 t -67.21 -26.05 66.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 108.337 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.574 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 2.5 mt-30 -59.59 -49.77 76.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.65 -46.38 82.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 51' ' ' GLN . 24.7 t -72.51 -16.79 61.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.967 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -44.98 95.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' SER . 4.2 tt0 -112.06 54.23 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 108.268 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.658 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.932 0 N-CA-C 111.033 -0.411 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -65.46 -11.37 42.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.359 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.499 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 1.6 t70 -105.92 -9.22 17.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.658 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -129.21 -152.21 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 107.972 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.678 ' CD2' ' CB ' ' A' ' 16' ' ' SER . 34.5 t80 57.57 120.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.597 ' OG1' HG22 ' A' ' 10' ' ' THR . 69.6 p -108.64 101.45 43.43 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.391 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.5 7.68 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.22 -3.48 50.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.597 HG22 ' OG1' ' A' ' 7' ' ' THR . 8.8 t -143.83 39.68 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 t -150.24 162.63 40.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 108.285 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.25 -43.73 69.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.77 ' CE2' HG21 ' A' ' 22' ' ' THR . 46.9 m-85 -85.74 154.75 21.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.2 -9.96 32.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.678 ' HB2' HG22 ' A' ' 18' ' ' THR . 0.3 OUTLIER -100.17 139.07 36.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.788 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.678 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 1.1 p -82.37 -36.21 27.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -64.44 -54.17 36.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.678 HG22 ' HB2' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -66.74 -35.72 80.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.396 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -61.49 -57.63 11.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.511 ' NE1' HG21 ' A' ' 24' ' ' THR . 1.8 t-105 -54.79 -52.41 62.74 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.533 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -55.19 -46.08 75.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.355 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.77 HG21 ' CE2' ' A' ' 13' ' ' TYR . 95.6 m -70.89 -18.53 62.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -87.51 -35.47 18.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.295 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.511 HG21 ' NE1' ' A' ' 20' ' ' TRP . 1.9 p -84.69 58.29 4.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.424 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 21' ' ' THR . 11.5 p -139.55 161.51 56.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.381 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 123.55 7.96 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.537 1.809 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.33 -153.38 8.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.441 1.088 . . . . 0.0 111.045 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -101.48 -42.99 6.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 0.755 . . . . 0.0 110.326 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.5 p -112.46 45.54 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -68.93 -61.78 1.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.296 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.574 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 4.5 t80 -75.0 -6.53 49.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.8 m -89.81 -33.93 16.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.1 p -70.03 -28.81 65.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.312 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 71.4 m -58.19 -39.77 79.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 108.273 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.2 t -78.0 0.42 24.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.971 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.2 m -128.44 13.87 6.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.598 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -144.02 18.66 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 108.285 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 35.2 m-85 -157.85 173.69 16.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.432 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 19.4 t70 -110.1 -103.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.562 HG13 HG23 ' A' ' 41' ' ' VAL . 9.5 p -94.91 -52.97 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.562 HG23 HG13 ' A' ' 40' ' ' VAL . 60.4 t -71.99 -72.3 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.562 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -32.82 -34.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 41' ' ' VAL . 9.1 tt0 -74.79 -61.28 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 110.338 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -66.73 -15.22 63.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.264 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.01 -45.13 11.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 48.8 t -71.45 -28.14 63.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 108.3 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.561 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 12.0 mt-30 -55.28 -44.99 76.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.3 mtt -71.42 -43.2 67.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' GLN . 3.7 m -80.38 2.75 23.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -63.4 82.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.5 OUTLIER -91.45 53.41 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 108.334 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.674 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -57.76 -35.23 70.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.552 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 2.1 t70 -80.35 -16.86 53.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.674 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -122.08 -154.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 108.002 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 8' ' ' PRO . 17.7 t80 57.57 119.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.7 p -111.85 96.27 32.6 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.5 Cg_endo -74.99 -9.68 20.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.55 -6.49 57.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.0 t -143.51 39.97 1.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.419 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.4 t -145.78 -179.54 6.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 108.313 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.41 -34.04 12.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.576 ' CZ ' HG21 ' A' ' 22' ' ' THR . 30.7 m-85 -84.85 143.0 29.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.04 -12.41 39.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.525 1.14 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.698 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -101.7 142.98 32.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.35 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.432 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 53.9 p -84.66 -38.73 19.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -64.95 -49.8 68.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.636 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -69.64 -34.61 74.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -61.12 -57.83 10.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.404 ' CZ3' ' HZ3' ' A' ' 5' ' ' TRP . 2.9 t-105 -55.01 -52.7 62.34 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -54.25 -58.11 8.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.401 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.576 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 36.0 m -56.84 -17.43 9.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.4 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -90.04 -39.17 13.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 108.284 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.51 59.1 5.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.427 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 21' ' ' THR . 2.1 p -143.34 163.28 38.01 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.415 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 127.64 10.83 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.541 1.811 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.23 -143.95 4.21 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.781 ' HG3' HG23 ' A' ' 29' ' ' THR . 19.2 pt20 -111.16 -42.83 3.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 110.31 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.781 HG23 ' HG3' ' A' ' 28' ' ' GLN . 19.0 p -112.56 42.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -64.1 -60.22 3.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.246 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.563 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 15.1 t80 -75.19 -16.15 60.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.434 ' HB ' ' CA ' ' A' ' 29' ' ' THR . 2.3 m -73.08 -39.82 65.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.458 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.3 p -74.25 -21.34 59.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 108.291 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.6 m -65.81 -11.7 48.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.275 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 t -113.66 0.93 14.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.3 p -114.22 -39.53 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.604 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -93.93 24.65 4.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 108.339 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 19.5 m-85 -157.17 170.58 22.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.432 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 13.2 t0 -111.03 -104.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.574 HG13 HG23 ' A' ' 41' ' ' VAL . 8.2 p -93.73 -53.59 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.574 HG23 HG13 ' A' ' 40' ' ' VAL . 43.7 t -70.72 -66.56 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.593 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -36.34 -30.84 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.534 1.146 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 41' ' ' VAL . 22.4 tt0 -79.06 -61.29 2.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -16.89 63.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.02 -45.31 11.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.589 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 50.5 t -76.26 -24.61 54.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 108.303 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.563 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 4.6 mt-30 -62.3 -53.5 54.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 49' ' ' SER . 13.6 ptm -66.94 -32.03 73.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 51' ' ' GLN . 0.5 OUTLIER -95.81 10.07 38.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 109.998 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -62.4 82.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 49' ' ' SER . 16.6 tt0 -93.75 64.35 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 108.33 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.445 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.931 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 4' ' ' ASP . 7.1 pt-20 -85.26 -45.71 11.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.479 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 5.0 m-20 -74.76 -17.37 60.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.471 ' CD1' ' HB2' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -117.11 -155.43 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 108.012 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.521 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 17.2 t80 57.35 119.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 76.1 p -111.15 96.81 32.23 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.415 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.0 -1.18 10.89 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.541 1.811 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -87.15 -16.05 36.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.4 t -134.56 39.75 3.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.414 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -150.23 154.38 37.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 108.287 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.35 50.47 1.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.596 ' CD1' ' SG ' ' A' ' 37' ' ' CYS . 31.5 m-85 -142.19 130.82 22.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -97.55 23.61 35.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.566 ' HB2' HG22 ' A' ' 18' ' ' THR . 1.1 m-20 -156.28 142.64 18.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 0.767 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.521 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 89.1 p -82.02 -34.3 29.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.89 -50.55 66.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.566 HG22 ' HB2' ' A' ' 15' ' ' ASP . 1.7 t -66.47 -32.46 73.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.423 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.52 -60.7 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.46 ' CE3' ' CZ ' ' A' ' 38' ' ' PHE . 4.3 t-105 -55.51 -48.99 73.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 107.969 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.441 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -54.53 -63.4 1.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 110.383 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.43 HG21 ' HE2' ' A' ' 13' ' ' TYR . 83.7 m -54.65 -19.54 6.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -82.11 -45.14 15.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 108.29 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 p -84.51 69.46 10.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 21' ' ' THR . 3.1 p -147.17 161.07 37.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 121.53 6.64 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.791 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.57 -166.28 32.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -84.04 -33.23 24.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 0.742 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.402 ' HB ' ' HB ' ' A' ' 32' ' ' THR . 62.7 p -114.43 47.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.5 t -68.47 -51.79 39.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 108.329 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.585 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 21.4 t80 -88.72 -17.81 29.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.402 ' HB ' ' HB ' ' A' ' 29' ' ' THR . 30.8 m -72.86 -40.16 65.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.438 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -69.36 -21.88 63.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 108.301 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.7 m -68.5 -8.88 45.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 108.313 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.4 t -115.93 1.79 13.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.992 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 p -107.13 -45.43 4.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.596 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 1.0 OUTLIER -93.94 28.4 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 108.278 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 28.0 m-85 -158.4 168.51 26.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.429 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 18.5 t70 -110.95 -104.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.621 HG13 HG23 ' A' ' 41' ' ' VAL . 9.0 p -93.81 -54.62 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.621 HG23 HG13 ' A' ' 40' ' ' VAL . 47.6 t -71.53 -63.16 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.591 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -36.36 -32.51 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 111.052 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' VAL . 1.7 tm-20 -80.01 -55.04 5.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.6 -20.05 66.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.14 -43.89 12.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 47.8 t -74.55 -24.41 58.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 108.276 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.585 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 0.6 OUTLIER -58.58 -49.77 76.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -40.7 95.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.4 t -74.99 -22.49 58.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -49.64 98.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -102.08 54.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 108.32 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.683 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 110.953 -0.441 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.15 -42.79 91.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.565 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.7 OUTLIER -74.21 -15.25 61.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.683 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -123.22 -154.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 108.019 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.504 ' CD2' ' CB ' ' A' ' 16' ' ' SER . 24.3 t80 57.69 122.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.058 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.4 p -111.67 99.19 43.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.408 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.05 0.65 8.67 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.455 1.766 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -88.83 -14.24 37.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.6 t -135.62 43.85 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.365 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.37 164.13 38.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 108.314 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.62 -33.19 41.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.238 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.565 ' CE1' HG21 ' A' ' 22' ' ' THR . 14.2 m-85 -84.86 143.69 28.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -98.15 -27.76 8.58 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.103 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.676 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 5.7 m-20 -88.46 142.89 27.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.504 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 28.5 p -82.5 -33.77 28.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.98 -48.21 59.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.574 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -71.72 -33.54 68.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -61.26 -56.76 16.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.499 ' NE1' HG21 ' A' ' 24' ' ' THR . 2.2 t-105 -57.19 -50.59 72.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.013 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.533 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -55.67 -51.15 68.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.404 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.565 HG21 ' CE1' ' A' ' 13' ' ' TYR . 87.1 m -63.82 -19.56 65.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.383 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.77 -35.47 19.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.325 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.499 HG21 ' NE1' ' A' ' 20' ' ' TRP . 1.9 p -84.32 60.65 6.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.405 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 21' ' ' THR . 54.1 p -138.7 160.32 63.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.446 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 122.76 7.39 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.54 1.811 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.21 -144.69 4.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -109.91 -45.96 3.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 110.264 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.5 p -109.45 41.52 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.392 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 t -65.57 -58.17 6.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 108.307 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.585 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 2.4 t80 -76.86 -4.21 42.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -93.56 -34.01 13.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.373 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.9 p -67.12 -29.56 69.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 108.317 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 72.6 m -57.79 -39.18 76.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 108.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.5 p -76.61 0.34 20.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 m -127.38 9.99 6.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.599 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -140.1 17.59 2.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 108.306 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 39.6 m-85 -158.03 173.34 16.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.434 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 38.1 t0 -110.01 -104.03 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 3.7 p -94.99 -50.72 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 43' ' ' GLU . 21.3 t -72.03 -74.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.593 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -33.83 -33.05 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 41' ' ' VAL . 18.6 tt0 -76.92 -60.65 2.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -65.97 -18.15 65.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.39 -48.99 8.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 52.2 t -65.86 -28.41 68.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 108.337 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.57 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 9.0 mt-30 -56.93 -49.14 76.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.8 mtm -64.78 -48.39 74.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 51' ' ' GLN . 11.3 t -67.9 -21.08 65.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.973 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -45.8 95.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' SER . 13.7 tt0 -112.4 53.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 108.34 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.643 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 110.994 -0.425 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.73 -34.1 72.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.421 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 1.9 t70 -78.9 -30.51 44.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.643 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -102.94 -158.95 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 107.992 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 23.8 t80 57.71 120.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.443 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 65.1 p -109.61 99.9 39.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.346 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.5 Cg_endo -74.99 0.97 8.25 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -90.4 -12.92 36.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.443 ' CG2' ' OG1' ' A' ' 7' ' ' THR . 3.2 t -138.02 45.41 2.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.47 148.82 23.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 108.294 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.91 -32.93 74.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.486 ' CZ ' HG21 ' A' ' 22' ' ' THR . 15.6 m-85 -89.92 131.58 35.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -97.13 10.19 65.57 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.508 1.13 . . . . 0.0 111.055 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.593 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -119.59 140.72 50.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.747 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.564 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -79.91 -32.51 40.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.021 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -64.95 -60.84 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.558 HG22 ' HB2' ' A' ' 15' ' ' ASP . 1.3 t -61.48 -30.24 70.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.378 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.593 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -65.6 -62.14 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.241 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.687 ' NE1' HG21 ' A' ' 24' ' ' THR . 4.7 t-105 -54.85 -47.1 74.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 107.985 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 25' ' ' THR . 1.0 OUTLIER -54.83 -64.18 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.486 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 10.1 m -54.65 -21.11 9.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.423 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.428 ' SG ' ' C ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -83.22 -42.72 16.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 108.293 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.687 HG21 ' NE1' ' A' ' 20' ' ' TRP . 14.7 p -84.63 68.26 10.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.367 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 21' ' ' THR . 2.4 p -148.86 158.93 38.82 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 123.52 7.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.27 -163.49 26.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -91.33 -40.56 11.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 0.735 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.1 p -110.53 44.93 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 t -69.84 -56.27 7.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 108.248 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.588 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 53.3 t80 -72.79 -24.09 60.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.1 m -70.53 -34.57 72.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.423 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.428 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -74.85 -22.71 58.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 108.306 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.7 m -68.84 -8.47 43.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 108.285 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.3 t -116.24 1.61 13.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.99 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.5 t -105.75 -47.39 3.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.535 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 1.3 m -93.56 30.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 108.33 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.59 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 23.4 m-85 -158.3 169.25 24.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.429 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 17.8 t70 -112.89 -105.1 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.656 HG13 HG23 ' A' ' 41' ' ' VAL . 9.8 p -93.96 -55.02 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.656 HG23 HG13 ' A' ' 40' ' ' VAL . 59.6 t -71.88 -57.57 7.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.59 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -41.01 -31.85 0.51 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' GLN . 4.0 tm-20 -81.4 -54.74 5.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.776 . . . . 0.0 110.28 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.89 -19.55 65.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.4 -44.87 11.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.623 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 42.3 t -76.83 -21.38 55.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 108.285 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.588 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 1.0 OUTLIER -64.34 -47.46 79.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -41.02 73.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.6 t -73.98 -30.74 62.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 46' ' ' CYS . . . -45.49 105.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -103.95 53.25 0.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.351 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 108.309 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.645 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.044 -0.406 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -57.32 -30.52 64.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.509 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.9 OUTLIER -84.79 -21.65 29.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.645 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -117.79 -153.33 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 107.977 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 8' ' ' PRO . 19.9 t80 58.95 124.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 49.3 p -112.58 95.05 30.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.401 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.06 0.29 9.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.463 1.77 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.88 -5.31 55.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.6 t -145.14 45.39 1.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 110.431 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.448 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -160.73 164.74 31.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 108.254 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.433 ' C ' ' CD1' ' A' ' 13' ' ' TYR . . . -96.56 52.11 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.542 ' CD2' ' HA ' ' A' ' 19' ' ' ALA . 29.6 m-85 -144.96 138.75 27.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -96.01 -36.25 5.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.464 ' HB2' ' CG2' ' A' ' 18' ' ' THR . 41.3 m-20 -99.39 150.96 21.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.8 p -85.08 -38.4 19.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -65.57 -40.87 93.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -72.13 -39.98 68.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 110.37 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.542 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . . . -57.52 -57.08 14.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.656 ' NE1' HG21 ' A' ' 24' ' ' THR . 2.3 t-105 -56.78 -45.77 81.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 108.015 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.634 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -57.28 -59.8 4.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.394 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.2 m -56.52 -19.42 15.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.59 -38.73 18.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 108.326 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.656 HG21 ' NE1' ' A' ' 20' ' ' TRP . 19.5 p -84.95 47.34 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 21' ' ' THR . 10.7 p -136.1 160.76 65.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.376 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 119.73 5.75 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.446 1.761 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -160.48 -138.88 2.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.88 -31.39 8.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.2 p -126.97 55.16 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.371 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.3 t -70.38 -32.7 70.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 108.303 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.563 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 48.5 t80 -109.04 -19.27 13.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.6 m -81.62 -25.29 35.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.446 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.9 p -73.55 -42.08 62.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 108.31 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 80.4 m -59.16 -17.69 29.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 108.325 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.2 t -89.02 0.65 56.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.0 m -144.24 17.74 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.027 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.52 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -135.11 15.7 3.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 108.31 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 67.0 m-85 -156.4 175.45 13.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -102.29 -85.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.6 p -130.47 -42.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.533 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 3.2 t -73.92 -51.25 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.562 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -62.94 -36.28 93.21 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.437 ' N ' ' HB3' ' A' ' 38' ' ' PHE . 28.9 tt0 -73.53 -45.52 53.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -74.94 -25.91 59.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 41' ' ' VAL . . . -83.25 -37.09 23.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 48.8 t -74.11 -28.28 61.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 108.335 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.563 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 16.6 mt-30 -54.85 -52.79 61.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 mmm -66.86 -29.54 69.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.9 -36.33 59.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.32 109.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.81 53.32 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.1 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 108.279 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.66 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -58.87 -31.65 68.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.552 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.6 OUTLIER -84.23 -14.39 50.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.66 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -124.71 -154.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.675 ' CD2' ' CB ' ' A' ' 16' ' ' SER . 22.9 t80 58.07 121.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.403 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 77.5 p -110.79 99.63 42.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.382 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.04 1.12 8.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.523 1.801 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -89.69 -17.34 28.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.403 ' CG2' ' OG1' ' A' ' 7' ' ' THR . 1.7 t -131.43 39.77 3.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.395 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 t -150.09 149.35 30.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.315 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.01 -10.97 44.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.782 ' OH ' HG21 ' A' ' 22' ' ' THR . 50.3 m-85 -108.97 153.51 23.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.21 -24.69 6.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.606 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 2.6 m-20 -89.2 145.96 25.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.675 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -88.47 -31.9 18.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -70.49 -54.47 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.429 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -64.63 -41.51 96.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.606 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -55.97 -56.88 15.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.535 ' NE1' HG21 ' A' ' 24' ' ' THR . 1.9 t-105 -54.69 -46.43 74.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 108.024 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 25' ' ' THR . 0.8 OUTLIER -54.31 -56.11 21.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.375 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.782 HG21 ' OH ' ' A' ' 13' ' ' TYR . 2.9 m -61.87 -29.46 70.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -72.25 -39.84 68.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 108.28 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.535 HG21 ' NE1' ' A' ' 20' ' ' TRP . 4.3 p -84.59 72.65 10.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.418 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 21' ' ' THR . 71.3 p -150.0 157.9 37.34 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 120.75 6.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.02 -152.36 7.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.2 -44.07 5.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 0.74 . . . . 0.0 110.341 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.3 p -111.18 40.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.368 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.1 t -63.9 -58.07 7.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.262 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -65.92 -34.24 77.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.8 m -64.84 -34.23 77.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.412 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -63.63 -39.12 93.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 108.32 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.452 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 77.3 m -59.23 -36.19 75.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 108.304 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.9 t -77.95 0.79 22.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -129.63 10.56 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.603 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -139.96 18.26 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 108.3 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 37.7 m-85 -157.84 172.27 18.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.431 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 40.3 t0 -108.66 -104.35 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 41' ' ' VAL . 7.0 p -94.66 -51.76 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.564 ' O ' ' N ' ' A' ' 45' ' ' ALA . 26.1 t -71.51 -74.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.56 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -32.61 -34.65 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 41' ' ' VAL . 9.3 tt0 -74.3 -57.11 4.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' VAL . 6.4 pt20 -71.71 -15.89 62.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.564 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.6 -45.16 12.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.492 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 46.5 t -71.83 -28.04 63.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 108.321 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.59 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -54.68 -49.13 71.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.9 mmt -64.97 -49.89 68.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' GLN . 1.9 m -67.12 -17.56 64.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -48.3 94.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' SER . 12.2 tt0 -110.27 54.48 0.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 108.321 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.634 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -26.33 60.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.515 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 3.0 t70 -88.12 -17.93 29.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.634 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -123.02 -153.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.5 ' CD2' ' CB ' ' A' ' 16' ' ' SER . 19.6 t80 58.63 126.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.7 p -116.52 98.12 51.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.372 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.4 Cg_endo -74.98 0.67 8.61 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.477 1.777 . . . . 0.0 111.035 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.29 -3.34 53.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.3 t -144.96 44.69 1.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 110.418 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.74 167.92 28.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.299 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.92 -29.82 35.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.366 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.434 ' CZ ' HG21 ' A' ' 22' ' ' THR . 26.8 m-85 -84.96 142.54 29.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.06 -21.18 12.15 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.692 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -96.04 148.24 22.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.5 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 9.7 p -87.94 -40.9 13.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.02 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.87 -48.14 75.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.617 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -69.75 -36.13 75.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.382 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -59.87 -57.41 13.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -56.7 -49.18 75.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 108.001 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.85 -56.82 15.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.434 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 96.1 m -60.89 -18.44 56.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.88 -38.22 23.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 108.278 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -84.29 66.41 9.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.9 p -153.24 161.84 28.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.425 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 121.54 6.65 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.46 1.768 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.68 -154.55 7.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -95.79 -35.6 11.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.786 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.412 ' HB ' ' HB ' ' A' ' 32' ' ' THR . 69.1 p -123.68 54.89 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.385 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.6 t -70.54 -53.73 14.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 108.338 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.569 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 8.4 t80 -89.03 -6.05 57.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 111.03 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.412 ' HB ' ' HB ' ' A' ' 29' ' ' THR . 5.3 m -91.05 -28.5 17.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.382 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.4 p -67.98 -42.98 79.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 108.33 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.445 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 67.8 m -56.02 -30.15 61.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 108.299 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 p -80.46 0.4 33.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.027 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.08 17.48 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.977 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.52 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -141.3 17.13 2.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 108.275 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 46.5 m-85 -156.96 169.85 23.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -98.34 -82.89 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.532 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 1.6 p -129.99 -50.3 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.572 ' HB ' ' CD1' ' A' ' 5' ' ' TRP . 5.2 t -72.77 -38.71 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.348 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.434 ' HA2' ' CE3' ' A' ' 5' ' ' TRP . . . -66.18 -37.1 92.68 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.525 1.14 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.435 ' N ' ' HB3' ' A' ' 38' ' ' PHE . 15.4 tt0 -84.36 -44.21 13.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 0.809 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.532 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 4.8 mm100 -65.22 -29.39 70.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 41' ' ' VAL . . . -84.93 -36.45 21.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 50' ' ' ALA . 43.9 t -74.88 -28.82 60.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 108.261 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.569 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 6.7 mt-30 -57.7 -47.1 83.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.28 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.3 mtm -69.41 -48.27 61.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.7 t -64.94 -27.95 69.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.977 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -50.88 106.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.45 52.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 108.301 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.655 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -40.04 79.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.42 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.5 OUTLIER -73.64 -33.53 64.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.655 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -100.06 -160.37 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 107.988 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 19.2 t80 58.29 125.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 44.6 p -108.89 100.69 40.93 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.372 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 1.22 8.0 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.779 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.77 -9.89 36.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.4 t -145.17 41.52 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.357 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.6 t -134.85 160.4 38.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 108.305 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.58 -47.03 70.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.533 ' CE2' HG21 ' A' ' 22' ' ' THR . 17.9 m-85 -98.46 162.48 13.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.59 0.4 42.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.613 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -102.13 135.9 42.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 0.729 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.567 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 2.7 p -79.86 -34.54 39.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -65.11 -53.67 41.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.55 -35.09 78.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.389 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -59.92 -57.56 12.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -56.97 -48.55 78.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 108.013 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.681 ' O ' HG23 ' A' ' 25' ' ' THR . 0.8 OUTLIER -54.44 -60.49 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.332 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.533 HG21 ' CE2' ' A' ' 13' ' ' TYR . 46.9 m -56.53 -24.6 47.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -78.39 -41.19 33.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 108.312 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 49' ' ' SER . 1.8 p -84.58 58.91 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.681 HG23 ' O ' ' A' ' 21' ' ' THR . 70.9 p -137.11 153.59 75.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 110.421 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 127.59 10.77 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.482 1.78 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.12 -143.2 3.91 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -109.11 -26.59 10.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.409 ' HB ' ' HB ' ' A' ' 32' ' ' THR . 35.4 p -121.95 40.89 3.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 t -57.66 -68.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -68.01 -26.82 66.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.409 ' HB ' ' HB ' ' A' ' 29' ' ' THR . 8.7 m -64.27 -31.54 72.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.403 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.425 ' O ' ' SG ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -80.75 -23.88 39.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.278 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.4 m -68.94 -8.77 47.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 108.293 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 p -117.0 1.82 12.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.04 -49.2 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.037 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.587 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 75.3 m -93.54 31.35 1.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 108.313 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.589 ' CE2' ' HB2' ' A' ' 46' ' ' CYS . 14.9 m-85 -157.81 168.56 26.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.426 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 21.7 t70 -113.09 -104.67 0.4 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.591 HG13 HG23 ' A' ' 41' ' ' VAL . 9.2 p -95.43 -53.68 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.591 HG23 HG13 ' A' ' 40' ' ' VAL . 21.4 t -71.73 -53.49 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.571 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -47.03 -29.96 4.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.52 1.138 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' GLN . 5.2 tt0 -81.94 -59.18 2.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.4 ' HG2' ' HA ' ' A' ' 41' ' ' VAL . 1.9 pt20 -63.43 -18.47 63.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.9 -45.08 11.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.589 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 42.4 t -75.02 -28.18 60.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 108.274 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 43' ' ' GLU . 1.4 mt-30 -54.46 -45.18 73.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.4 mtt -78.35 -0.58 29.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' GLN . 1.4 m -124.78 7.2 8.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.085 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -62.79 82.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.1 OUTLIER -84.9 67.63 10.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 108.277 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.647 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.85 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.26 -33.49 65.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.42 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.5 OUTLIER -77.58 -28.27 51.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.647 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -112.73 -153.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.03 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 37.8 t80 57.97 121.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.9 p -112.84 95.64 34.4 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.05 1.17 8.06 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.32 -3.88 49.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 t -145.21 40.78 1.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.44 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -146.04 -178.17 5.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.276 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.27 -35.74 12.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.523 ' CD2' HG23 ' A' ' 18' ' ' THR . 4.0 m-30 -87.55 145.59 26.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.13 -4.13 54.02 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.625 ' HB2' HG22 ' A' ' 18' ' ' THR . 27.4 m-20 -102.95 151.05 22.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.581 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 87.9 p -97.4 -34.07 11.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.028 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -72.18 -42.58 65.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.625 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -75.67 -36.21 60.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.415 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -60.39 -55.0 38.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.591 ' NE1' HG21 ' A' ' 24' ' ' THR . 1.7 t-105 -57.15 -51.11 70.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 107.978 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 25' ' ' THR . 0.8 OUTLIER -54.9 -58.47 7.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.51 HG21 ' CE2' ' A' ' 13' ' ' TYR . 13.8 m -57.05 -18.1 12.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.09 -38.31 13.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.31 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.591 HG21 ' NE1' ' A' ' 20' ' ' TRP . 1.4 p -84.28 56.33 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.083 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 21' ' ' THR . 2.6 p -141.84 158.27 62.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.391 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 127.33 10.58 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.529 1.805 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -169.23 -147.14 5.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 29' ' ' THR . 5.8 pt20 -104.64 -35.04 7.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.414 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 23.7 p -121.79 51.64 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.385 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -66.96 -71.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 108.316 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -69.21 -17.34 63.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 111.028 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.4 m -67.19 -30.61 70.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.3 p -90.46 -16.0 29.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 108.323 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.9 m -65.75 -10.46 37.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 108.296 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.5 p -116.01 1.48 13.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.2 m -108.33 -43.91 4.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -93.16 29.8 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 108.274 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.498 ' HB3' ' C ' ' A' ' 42' ' ' GLY . 48.6 m-85 -157.61 174.69 14.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.42 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 33.2 t0 -116.41 -104.48 0.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.651 HG12 ' N ' ' A' ' 41' ' ' VAL . 0.9 OUTLIER -93.76 -66.41 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.651 ' N ' HG12 ' A' ' 40' ' ' VAL . 60.7 t -68.57 -44.0 83.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.498 ' C ' ' HB3' ' A' ' 38' ' ' PHE . . . -48.49 -32.92 10.94 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -85.12 -50.13 7.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.437 ' CG ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -63.5 -20.97 66.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.318 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.58 -39.18 16.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 50' ' ' ALA . 34.2 t -75.95 -31.48 59.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.328 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.92 -47.93 73.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 27.4 mmt -67.65 -38.79 84.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 51' ' ' GLN . 3.3 m -88.91 10.49 21.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.974 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -66.93 72.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' SER . 2.2 mp0 -84.97 66.48 9.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.24 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 108.334 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.689 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 111.03 -0.412 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -56.13 -38.86 71.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.506 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 2.4 t70 -71.99 -23.88 61.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.689 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -114.79 -154.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.575 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 24.3 t80 58.05 124.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.1 p -109.19 100.56 41.36 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -5.08 16.34 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.531 1.806 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.81 -11.96 49.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 t -144.66 43.17 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.4 t -135.16 161.02 36.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 108.306 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.62 -45.98 67.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.738 ' CE2' HG21 ' A' ' 22' ' ' THR . 46.1 m-85 -98.34 159.12 15.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.54 6.06 55.05 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.694 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 2.5 m-20 -110.01 141.16 43.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.575 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 50.0 p -85.14 -34.51 22.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.013 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.55 -53.24 36.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.689 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.7 OUTLIER -67.95 -33.48 74.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -61.54 -57.74 10.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.595 ' NE1' HG21 ' A' ' 24' ' ' THR . 3.4 t-105 -56.53 -51.68 67.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 108.022 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.83 -60.59 3.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.738 HG21 ' CE2' ' A' ' 13' ' ' TYR . 73.3 m -54.79 -18.56 4.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.402 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.03 -39.22 14.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.595 HG21 ' NE1' ' A' ' 20' ' ' TRP . 21.5 p -84.06 62.05 6.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.408 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.403 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 7.8 p -151.89 155.59 33.78 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.37 4.88 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.451 1.764 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.82 -130.98 1.19 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -112.08 -30.42 7.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.1 p -127.68 57.44 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 34.5 t -70.95 -39.65 72.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 108.296 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -107.61 -23.27 12.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.6 m -65.75 -29.42 69.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.0 p -87.51 -19.49 27.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 108.305 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.8 m -65.65 -11.33 43.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 108.309 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.2 p -115.29 1.97 13.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.17 -42.08 4.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.641 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 60.8 m -95.06 26.75 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 108.258 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.641 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 18.7 m-85 -157.32 167.91 28.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 29.7 t0 -109.58 -104.54 0.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 41' ' ' VAL . 9.7 p -94.6 -50.56 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.559 HG11 ' NE1' ' A' ' 5' ' ' TRP . 14.0 t -69.77 -70.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.628 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -35.15 -32.0 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.55 1.156 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 41' ' ' VAL . 1.8 tt0 -73.44 -63.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -68.59 -16.26 63.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.39 -43.09 13.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 47.5 t -74.88 -33.98 62.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 108.262 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 43' ' ' GLU . 1.2 mp0 -54.12 -38.24 65.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.5 mmm -76.24 -23.47 54.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.02 -27.35 19.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -45.97 101.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -117.99 53.17 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 25' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 108.269 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.641 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 4' ' ' ASP . 7.1 pt-20 -59.48 -38.61 81.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.337 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 3' ' ' GLU . 1.2 m-20 -79.63 -32.29 41.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.641 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -102.88 -154.66 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 108.018 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 8' ' ' PRO . 19.9 t80 57.98 120.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.9 p -112.83 94.3 28.4 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.449 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.1 Cg_endo -74.99 -11.58 21.49 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.758 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.34 -7.13 53.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.7 t -144.87 39.86 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.424 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -149.95 163.23 38.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 108.257 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.508 ' C ' ' CD1' ' A' ' 13' ' ' TYR . . . -97.3 52.46 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.601 ' CD1' ' SG ' ' A' ' 37' ' ' CYS . 15.0 m-85 -146.81 142.96 28.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -97.77 -29.63 7.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.428 ' HB2' ' CG2' ' A' ' 18' ' ' THR . 14.8 m-20 -104.49 152.49 22.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.505 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 79.5 p -87.42 -36.85 17.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -64.85 -40.6 95.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.428 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 1.5 t -71.19 -41.38 70.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.42 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.436 ' CB ' ' CE1' ' A' ' 6' ' ' PHE . . . -56.26 -57.15 13.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -55.23 -50.11 70.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 108.01 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -54.7 -54.6 39.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.407 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.6 m -62.48 -18.25 61.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.385 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -82.89 -39.84 21.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 108.3 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.438 HG21 ' HB3' ' A' ' 49' ' ' SER . 7.3 p -84.82 59.15 5.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 21' ' ' THR . 29.1 p -133.66 157.86 76.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.35 11.41 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.83 -157.75 17.84 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -97.75 -14.45 20.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.9 p -132.34 45.5 2.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.424 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -64.7 -62.75 1.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.29 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.572 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 29.0 t80 -72.39 -22.81 61.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.0 m -68.98 -40.96 78.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.386 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.434 ' O ' ' SG ' ' A' ' 23' ' ' CYS . 1.3 t -68.33 -25.87 65.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 108.266 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.3 m -67.05 -9.57 40.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 108.339 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.9 t -116.0 1.54 13.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.036 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.13 -44.32 4.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.601 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -93.69 28.62 2.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 108.334 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.475 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 54.2 m-85 -158.0 173.21 17.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.424 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 18.1 t70 -112.86 -106.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.639 HG13 HG23 ' A' ' 41' ' ' VAL . 9.8 p -96.36 -55.43 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.639 HG23 HG13 ' A' ' 40' ' ' VAL . 59.8 t -71.56 -52.8 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.475 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -46.59 -30.87 4.82 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -82.39 -53.28 6.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -22.45 66.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.16 -40.11 15.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 50' ' ' ALA . 38.5 t -74.3 -28.87 61.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 108.278 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.572 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 1.5 mt-30 -54.35 -40.93 68.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.4 mmt -69.82 -37.0 76.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.438 ' HB3' HG21 ' A' ' 24' ' ' THR . 0.4 OUTLIER -78.41 -25.26 46.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.958 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -45.41 101.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -100.79 53.57 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 108.296 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.658 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -60.15 -28.86 68.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.547 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.6 OUTLIER -88.7 -12.14 43.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.263 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.658 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -126.34 -151.9 0.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 108.011 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.6 ' CZ ' ' O ' ' A' ' 15' ' ' ASP . 13.3 t80 59.12 128.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.9 p -110.07 99.95 41.58 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.6 Cg_endo -74.96 1.3 7.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.78 . . . . 0.0 111.039 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -93.75 -12.7 28.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 36' ' ' SER . 4.2 t -144.01 43.79 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 35.4 t -134.78 167.25 21.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 108.311 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.44 -34.7 78.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.546 ' CD2' HG23 ' A' ' 18' ' ' THR . 59.3 m-85 -121.44 173.5 7.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.51 -5.19 52.12 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.136 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.6 ' O ' ' CZ ' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -99.95 147.01 26.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.573 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -82.27 -27.94 32.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -71.9 -65.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.546 HG23 ' CD2' ' A' ' 13' ' ' TYR . 1.1 t -54.86 -35.64 64.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.375 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.533 ' CB ' ' CE1' ' A' ' 6' ' ' PHE . . . -65.32 -59.64 3.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.555 ' NE1' HG21 ' A' ' 24' ' ' THR . 2.2 t-105 -54.51 -41.99 70.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 108.025 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.705 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -58.57 -50.61 73.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.417 ' O ' ' OG1' ' A' ' 25' ' ' THR . 2.7 m -67.82 -19.56 65.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.352 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -82.46 -41.21 20.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.298 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.555 HG21 ' NE1' ' A' ' 20' ' ' TRP . 4.0 p -84.8 55.63 3.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.343 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 21' ' ' THR . 7.8 p -141.13 158.46 64.44 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 127.49 10.78 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.431 1.753 . . . . 0.0 111.042 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.05 -145.01 4.38 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.535 ' HG3' HG23 ' A' ' 29' ' ' THR . 10.8 pt20 -105.26 -33.75 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.535 HG23 ' HG3' ' A' ' 28' ' ' GLN . 2.2 p -123.15 51.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.416 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 t -65.21 -67.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 108.289 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.483 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 32.7 t80 -65.56 -26.53 67.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.1 m -72.87 -41.52 64.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.403 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.418 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -54.98 -38.62 68.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 108.319 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.443 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 66.3 m -57.35 -36.44 71.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 108.29 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.9 t -77.76 0.87 21.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -132.52 12.85 4.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.566 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 10.5 m -141.17 15.56 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.286 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 45.3 m-85 -158.13 171.24 20.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.428 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 39.6 t0 -106.09 -104.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.484 HG13 ' N ' ' A' ' 41' ' ' VAL . 7.8 p -95.79 -49.96 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' A' ' 45' ' ' ALA . 24.4 t -72.11 -75.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.583 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -32.85 -34.7 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 41' ' ' VAL . 14.7 tt0 -74.53 -59.58 2.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -67.71 -18.06 64.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.73 -46.63 10.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.487 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 42.2 t -65.78 -24.61 66.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.331 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.564 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 5.2 mt-30 -55.63 -49.14 73.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.68 -43.48 93.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 51' ' ' GLN . 1.0 OUTLIER -76.35 -8.9 58.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -59.11 86.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' SER . 8.0 tm0? -100.49 56.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 108.278 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.633 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.996 -0.424 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.24 -29.79 66.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.21 -31.51 33.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.633 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -106.04 -152.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.601 ' CZ ' ' O ' ' A' ' 15' ' ' ASP . 22.0 t80 58.45 124.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.0 p -113.72 98.92 48.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.418 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.2 Cg_endo -75.04 0.82 8.46 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -89.76 -12.0 40.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.3 t -138.28 47.8 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 36' ' ' SER . 0.7 OUTLIER -159.53 153.72 23.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 0.0 108.307 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.41 -31.57 71.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -84.79 150.3 25.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.35 -21.64 7.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.544 1.153 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.663 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -91.79 161.43 14.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.516 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 7.3 p -98.19 -40.42 8.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -64.89 -48.96 72.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.588 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -70.39 -37.04 74.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -60.34 -56.46 21.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.491 ' NE1' HG21 ' A' ' 24' ' ' THR . 3.0 t-105 -56.27 -49.61 73.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 108.004 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -55.06 -48.63 73.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.8 m -68.59 -21.43 64.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.43 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.458 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -81.43 -39.76 24.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 108.286 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.491 HG21 ' NE1' ' A' ' 20' ' ' TRP . 12.5 p -84.96 66.41 9.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 21' ' ' THR . 3.3 p -145.17 156.5 54.41 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 130.06 12.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -178.57 -148.87 7.8 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.562 1.164 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -101.43 -27.94 12.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 110.27 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.7 p -122.26 52.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.4 t -73.62 -49.79 24.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 108.336 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.582 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 23.0 t80 -86.93 -21.86 26.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.4 m -75.57 -39.69 57.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -44.95 75.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.267 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.458 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 62.0 m -58.36 -32.4 68.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.0 m -78.65 1.01 24.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 109.981 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.403 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 6.4 p -136.95 14.46 3.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.508 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -140.27 16.26 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.306 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.568 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 51.7 m-85 -157.03 166.35 33.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.76 -83.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -129.75 -45.09 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.529 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 13.1 t -74.33 -46.03 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.568 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -59.76 -40.15 96.25 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.499 1.124 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.469 ' N ' ' HB3' ' A' ' 38' ' ' PHE . 13.6 tt0 -75.04 -50.12 17.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 0.788 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 1.8 pp0? -65.11 -27.55 68.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 41' ' ' VAL . . . -84.23 -34.25 23.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 50' ' ' ALA . 43.5 t -74.61 -29.39 61.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 108.304 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.582 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 2.4 mt-30 -54.36 -46.99 73.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.245 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.9 mtt -65.31 -33.04 75.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -79.43 -28.93 41.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -46.03 98.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 49' ' ' SER . 13.5 tt0 -108.01 53.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 108.303 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.681 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 111.054 -0.402 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -58.18 -43.75 87.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.433 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 9.4 t0 -70.79 -32.14 69.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.681 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -100.36 -162.65 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 22.4 t80 57.87 118.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.496 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 44.4 p -110.21 99.64 40.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.2 Cg_endo -75.02 -8.57 20.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -78.2 -20.1 52.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.496 ' CG2' ' OG1' ' A' ' 7' ' ' THR . 3.1 t -128.59 41.42 3.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.44 173.87 12.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.26 -35.24 20.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.552 ' CE2' HG21 ' A' ' 22' ' ' THR . 34.9 m-85 -85.61 154.95 21.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -111.85 -9.29 21.03 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.517 1.135 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.563 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -105.09 145.81 30.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 0.736 . . . . 0.0 109.314 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.581 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 1.6 p -85.73 -32.77 21.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -65.11 -56.1 14.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.525 HG22 ' HB2' ' A' ' 15' ' ' ASP . 1.2 t -65.37 -35.06 79.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -62.98 -58.74 6.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.4 ' O ' ' OG1' ' A' ' 24' ' ' THR . 3.2 t-105 -54.6 -49.28 70.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 107.995 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.668 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -54.04 -63.24 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.467 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.552 HG21 ' CE2' ' A' ' 13' ' ' TYR . 19.7 m -54.64 -18.93 5.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.423 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.429 ' SG ' ' C ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -84.39 -41.87 16.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 108.285 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 20' ' ' TRP . 1.0 OUTLIER -86.03 56.53 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.392 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 21' ' ' THR . 11.3 p -136.76 154.14 76.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 125.99 9.65 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.515 1.797 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.94 -137.02 2.15 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -112.58 -26.94 8.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.3 p -126.02 51.6 1.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.406 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 t -66.6 -67.77 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 108.31 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.578 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 33.4 t80 -67.59 -25.15 65.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.949 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -68.1 -42.34 80.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.429 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -68.78 -23.82 64.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 108.307 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 35.1 m -70.26 -7.28 41.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 108.308 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.8 t -116.14 1.41 13.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.3 -47.31 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.991 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.521 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 1.1 m -93.82 30.77 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 108.258 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.546 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 19.0 m-85 -158.21 168.16 27.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.408 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 31.0 t0 -113.49 -104.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.085 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.652 HG13 HG23 ' A' ' 41' ' ' VAL . 10.1 p -95.32 -55.59 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.652 HG23 HG13 ' A' ' 40' ' ' VAL . 7.2 t -73.11 -48.7 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.546 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -46.53 -38.7 9.64 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 47' ' ' GLN . 3.0 tt0 -85.1 -41.48 15.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 0.775 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 4.0 mm-40 -64.74 -27.7 69.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.22 -44.43 12.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 50' ' ' ALA . 15.6 t -67.85 -33.77 75.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 108.282 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.578 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -54.25 -38.78 66.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.9 mtt -74.63 -34.49 62.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 m -92.41 7.3 43.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -62.09 87.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -97.27 64.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.124 . . . . 0.0 108.279 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.636 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.914 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -40.44 74.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.343 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -77.37 -40.89 42.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.636 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -92.34 -154.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 108.01 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.6 ' CE1' ' CB ' ' A' ' 19' ' ' ALA . 27.6 t80 58.04 117.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.1 p -113.25 93.8 27.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.416 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.55 ' HG3' ' CE2' ' A' ' 6' ' ' PHE . 18.4 Cg_endo -74.94 -13.88 21.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.65 -10.07 59.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -141.07 41.1 1.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.343 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.48 172.36 13.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 108.327 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.8 -37.99 23.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.826 ' CZ ' HG21 ' A' ' 22' ' ' THR . 28.5 m-85 -87.03 151.31 23.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -106.45 -13.25 23.07 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.67 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.1 m-20 -95.01 142.95 26.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.571 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 60.4 p -82.61 -38.53 23.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.988 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -65.34 -51.44 60.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.591 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -67.16 -35.38 79.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.358 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.67 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -59.89 -59.08 5.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.535 ' NE1' HG21 ' A' ' 24' ' ' THR . 2.5 t-105 -56.47 -48.77 76.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 108.021 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -55.01 -56.84 15.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.826 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 95.7 m -60.19 -18.04 45.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -85.79 -38.19 18.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 108.321 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.535 HG21 ' NE1' ' A' ' 20' ' ' TRP . 11.0 p -84.6 66.22 9.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 21' ' ' THR . 10.6 p -145.63 156.2 52.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.436 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 123.0 7.54 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.483 1.781 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.5 -158.62 15.88 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.539 1.15 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -87.18 -31.35 20.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 0.739 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.416 ' HB ' ' HB ' ' A' ' 32' ' ' THR . 57.1 p -117.85 50.87 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.437 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.7 t -67.27 -53.79 26.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 108.289 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.574 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 25.2 t80 -85.85 -23.58 27.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.95 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.416 ' HB ' ' HB ' ' A' ' 29' ' ' THR . 21.4 m -69.51 -43.02 73.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.44 ' O ' ' SG ' ' A' ' 23' ' ' CYS . 1.1 t -64.95 -26.27 68.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 108.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.7 m -68.07 -8.31 36.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.28 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.7 t -115.78 1.48 13.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -105.85 -45.82 4.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.027 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 6' ' ' PHE . 0.8 OUTLIER -94.04 30.67 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.288 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.463 ' HB3' ' C ' ' A' ' 42' ' ' GLY . 48.9 m-85 -158.28 173.68 16.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.41 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 45.3 t0 -115.24 -105.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.673 HG13 HG23 ' A' ' 41' ' ' VAL . 10.5 p -97.15 -55.82 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.673 HG23 HG13 ' A' ' 40' ' ' VAL . 26.4 t -71.93 -46.06 61.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.463 ' C ' ' HB3' ' A' ' 38' ' ' PHE . . . -53.2 -32.5 43.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 47' ' ' GLN . 4.1 tm-20 -83.44 -50.29 8.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -64.38 -24.29 67.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.598 1.186 . . . . 0.0 110.307 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.16 -38.93 17.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 50' ' ' ALA . 23.6 t -76.63 -27.02 55.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.179 . . . . 0.0 108.307 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.574 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 0.7 OUTLIER -54.71 -59.89 4.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.2 mtm -64.82 -9.33 19.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 111.039 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.1 p -97.91 -30.71 12.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -48.86 105.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.97 53.88 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 108.26 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.64 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo -74.98 49.76 2.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.543 1.812 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -84.93 -40.91 16.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -81.59 -15.5 54.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.64 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -115.96 -156.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 107.97 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.695 ' CD2' ' CB ' ' A' ' 16' ' ' SER . 23.5 t80 58.02 125.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.5 p -116.6 98.38 51.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.362 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.02 0.1 9.33 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.51 1.795 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -89.52 -9.87 48.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.0 t -141.08 46.2 1.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.43 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 36' ' ' SER . 1.2 t -157.92 157.02 32.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.286 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.84 -41.5 95.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -84.79 134.21 34.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -96.11 6.44 66.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.584 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -119.11 139.73 51.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 0.75 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.695 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -77.39 -30.31 53.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -68.99 -66.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.51 HG22 ' HB2' ' A' ' 15' ' ' ASP . 1.2 t -55.22 -35.91 65.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -61.44 -62.16 2.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -54.72 -50.55 68.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 107.989 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.538 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -54.37 -58.59 6.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.402 ' O ' ' OG1' ' A' ' 25' ' ' THR . 42.3 m -59.53 -17.98 36.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.44 -37.94 22.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 108.315 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.0 p -83.82 51.46 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 21' ' ' THR . 24.7 p -136.93 161.17 63.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.389 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 122.71 7.36 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.548 1.815 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.31 -157.84 11.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -95.23 -38.9 10.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 0.775 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.1 p -116.24 51.04 0.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.463 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.4 t -72.57 -46.31 54.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 108.306 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.522 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 19.3 t80 -92.19 -11.5 35.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -86.68 -29.99 22.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.9 p -65.65 -41.03 93.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 108.329 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.441 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 43.1 m -55.45 -33.91 64.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 108.299 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.6 t -78.49 0.58 25.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.401 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -138.26 16.86 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.013 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.55 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -142.11 17.06 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 108.284 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.575 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 47.3 m-85 -157.47 174.44 15.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 39' ' ' ASP . 3.3 t0 -104.8 -80.27 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 41' ' ' VAL . 10.0 p -130.57 -47.51 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.533 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 12.3 t -74.5 -46.47 42.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.575 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -59.58 -37.51 92.32 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.418 1.074 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.436 ' N ' ' HB3' ' A' ' 38' ' ' PHE . 16.1 tt0 -78.86 -49.41 12.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -65.68 -26.2 67.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.253 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 41' ' ' VAL . . . -84.47 -33.41 23.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 41.0 t -81.93 -22.07 36.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 108.28 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.522 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 19.1 mt-30 -59.4 -57.96 10.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.0 mtt -69.53 -38.71 77.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.7 t -64.97 -49.08 71.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -48.2 114.33 0.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.07 53.62 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 108.236 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.674 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.2 Cg_endo -75.01 1.67 7.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -58.28 -35.04 71.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.54 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.5 OUTLIER -81.06 -16.49 53.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.674 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -121.66 -155.36 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.526 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 21.2 t80 56.87 117.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.532 ' OG1' HG22 ' A' ' 10' ' ' THR . 50.4 p -110.81 98.07 36.33 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.4 Cg_endo -74.94 -3.6 14.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.49 -4.04 59.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.532 HG22 ' OG1' ' A' ' 7' ' ' THR . 9.1 t -145.07 39.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 110.431 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -148.47 -179.85 7.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.246 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.74 -25.46 14.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 109.238 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.628 ' CZ ' HG21 ' A' ' 22' ' ' THR . 15.2 m-30 -84.78 141.35 30.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.17 -16.22 28.31 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.714 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -104.3 142.99 33.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 0.742 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.526 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 82.7 p -83.96 -39.05 20.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.951 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -64.64 -51.85 60.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.644 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -67.56 -33.8 75.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.419 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.714 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -60.78 -58.84 6.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.557 ' NE1' HG21 ' A' ' 24' ' ' THR . 2.0 t-105 -55.04 -52.96 61.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 107.987 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.652 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -55.9 -37.8 69.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.368 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.628 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 15.4 m -75.31 -18.69 59.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.48 -35.84 14.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.557 HG21 ' NE1' ' A' ' 20' ' ' TRP . 1.9 p -84.57 56.32 3.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 21' ' ' THR . 6.3 p -137.57 158.47 71.86 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 122.59 7.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.64 -144.45 4.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.75 -42.77 3.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.7 p -109.28 41.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.351 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.74 -61.72 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 108.312 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.57 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 11.2 t80 -73.58 -13.94 61.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.4 m -75.83 -40.82 54.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.7 p -74.75 -17.54 60.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 108.288 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.8 m -65.97 -11.09 45.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 108.289 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.1 t -114.59 1.15 14.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.92 -41.9 4.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.003 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.597 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -93.9 25.88 3.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 108.295 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 22.1 m-85 -157.82 171.49 20.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.431 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 12.2 t0 -112.67 -104.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.599 HG13 HG23 ' A' ' 41' ' ' VAL . 7.5 p -93.79 -54.02 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.599 HG23 HG13 ' A' ' 40' ' ' VAL . 74.2 t -71.48 -65.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.59 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -36.1 -31.47 0.04 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 41' ' ' VAL . 1.5 tm-20 -79.72 -59.78 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.742 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.09 -18.89 64.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.82 -41.65 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.564 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 42.1 t -74.18 -29.76 61.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 108.251 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.57 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 13.4 mt-30 -55.45 -52.32 64.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.432 ' HG3' ' N ' ' A' ' 49' ' ' SER . 18.5 ptm -65.68 -32.25 73.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.432 ' N ' ' HG3' ' A' ' 48' ' ' MET . 0.8 OUTLIER -91.27 4.36 52.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -63.04 82.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -93.02 67.12 4.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.247 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 108.299 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.651 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo -74.97 0.47 8.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.778 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -57.67 -29.59 64.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.511 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 9.3 t0 -86.18 -16.63 37.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.651 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -123.09 -154.21 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.011 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.673 ' CE1' ' CB ' ' A' ' 19' ' ' ALA . 31.3 t80 56.89 116.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.417 ' OG1' HG22 ' A' ' 10' ' ' THR . 68.9 p -110.06 99.25 38.52 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -11.13 21.48 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.459 1.768 . . . . 0.0 111.037 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.32 -6.99 53.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.167 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.417 HG22 ' OG1' ' A' ' 7' ' ' THR . 12.2 t -144.33 39.86 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.445 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.479 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -152.77 163.88 38.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 108.304 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.465 ' C ' ' CD1' ' A' ' 13' ' ' TYR . . . -97.43 52.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.479 ' CD1' ' SG ' ' A' ' 11' ' ' CYS . 21.1 m-85 -145.97 143.09 29.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.25 -20.23 16.35 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.486 ' HB2' HG22 ' A' ' 18' ' ' THR . 18.4 m-20 -117.05 147.23 42.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 0.792 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.523 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 92.7 p -80.73 -32.8 35.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -64.81 -49.02 72.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.486 HG22 ' HB2' ' A' ' 15' ' ' ASP . 5.3 t -66.55 -34.92 78.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.673 ' CB ' ' CE1' ' A' ' 6' ' ' PHE . . . -60.27 -60.62 3.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.544 ' CE3' ' CZ ' ' A' ' 38' ' ' PHE . 2.3 t-105 -55.68 -46.85 77.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 107.996 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.91 -60.68 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.368 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 m -58.26 -19.27 32.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.407 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.419 ' SG ' ' C ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -80.0 -41.23 26.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 108.33 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.473 HG21 ' HB3' ' A' ' 49' ' ' SER . 1.5 p -84.57 64.67 8.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.0 p -144.81 156.72 55.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 131.74 14.62 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.474 1.776 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.85 -144.54 5.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -109.35 -25.33 10.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 110.246 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.41 ' CA ' ' HB ' ' A' ' 32' ' ' THR . 63.3 p -124.17 40.66 3.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -56.15 -71.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 108.308 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -65.51 -27.47 68.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.41 ' HB ' ' CA ' ' A' ' 29' ' ' THR . 5.9 m -64.68 -44.27 90.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.39 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.419 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -54.94 -39.35 68.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 108.321 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 82.2 m -62.18 -25.75 67.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 108.332 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 p -94.99 0.75 54.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.403 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.6 OUTLIER -126.27 19.49 7.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.98 -48.61 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 108.327 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 46' ' ' CYS . 69.3 m-85 -87.46 177.58 7.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.15 -104.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.564 HG13 HG23 ' A' ' 41' ' ' VAL . 8.7 p -95.46 -54.21 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.564 HG23 HG13 ' A' ' 40' ' ' VAL . 73.9 t -71.52 -73.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.538 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -33.47 -33.78 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 41' ' ' VAL . 31.5 tt0 -72.87 -57.14 4.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 0.753 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 41' ' ' VAL . 6.7 pt20 -71.97 -14.22 61.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.64 -42.31 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 34.2 t -72.83 -21.24 60.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 108.274 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.489 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -54.55 -49.36 70.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -35.48 81.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.473 ' HB3' HG21 ' A' ' 24' ' ' THR . 1.6 m -84.01 -6.17 59.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -59.08 100.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -90.55 54.81 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 108.281 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.658 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.2 Cg_endo -75.04 1.51 7.68 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -59.32 -26.53 65.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.578 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 1.9 t70 -90.2 -9.13 49.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.658 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -130.88 -153.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.536 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 29.8 t80 58.0 119.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.522 ' OG1' HG22 ' A' ' 10' ' ' THR . 66.5 p -108.84 100.65 40.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 110.405 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 1.04 8.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.802 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.21 -3.87 56.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.522 HG22 ' OG1' ' A' ' 7' ' ' THR . 8.8 t -144.93 40.16 1.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.373 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.52 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -157.42 162.81 39.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 108.286 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.441 ' C ' ' CD1' ' A' ' 13' ' ' TYR . . . -99.15 53.12 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.524 ' CD2' ' HA ' ' A' ' 19' ' ' ALA . 21.1 m-85 -144.1 140.28 29.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.93 -39.57 5.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 111.057 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.636 ' HB2' HG22 ' A' ' 18' ' ' THR . 0.5 OUTLIER -99.73 149.19 23.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.536 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 60.5 p -83.3 -34.45 25.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.05 -49.95 68.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.636 HG22 ' HB2' ' A' ' 15' ' ' ASP . 3.4 t -67.25 -36.85 82.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.524 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . . . -59.5 -58.81 7.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.547 ' NE1' HG21 ' A' ' 24' ' ' THR . 1.3 t-105 -54.29 -51.71 63.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 107.989 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.627 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -54.79 -51.96 64.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.422 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 92.8 m -61.9 -27.71 69.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.365 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.22 -38.39 35.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 108.325 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.547 HG21 ' NE1' ' A' ' 20' ' ' TRP . 6.1 p -84.23 64.72 8.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.377 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 21' ' ' THR . 17.5 p -140.22 161.78 53.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.386 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 119.24 5.55 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.12 -141.92 3.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.554 1.159 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.05 -46.92 3.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.4 p -111.02 43.53 1.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 1.4 t -67.54 -58.05 5.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 108.254 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.574 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 7.8 t80 -73.47 -8.77 57.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -92.71 -31.08 15.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 30' ' ' CYS . 15.1 p -69.75 -32.53 71.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 108.254 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 73.3 m -55.9 -38.07 69.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 108.275 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.5 t -74.0 -1.26 19.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.952 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 m -125.72 5.36 7.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.52 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -133.97 17.66 3.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 108.322 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 42.5 m-85 -157.09 171.56 20.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 39' ' ' ASP . 1.2 p30 -107.83 -104.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.578 HG13 HG23 ' A' ' 41' ' ' VAL . 8.3 p -94.65 -53.45 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.578 HG23 HG13 ' A' ' 40' ' ' VAL . 58.1 t -71.3 -71.61 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.583 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -33.19 -34.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 41' ' ' VAL . 2.9 tm-20 -74.93 -60.07 2.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -15.92 63.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.49 -48.97 8.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 51.4 t -67.21 -26.05 66.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 108.337 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.574 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 2.5 mt-30 -59.59 -49.77 76.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.65 -46.38 82.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 51' ' ' GLN . 24.7 t -72.51 -16.79 61.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.967 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -44.98 95.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' SER . 4.2 tt0 -112.06 54.23 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 108.268 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.658 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo -75.03 1.34 7.86 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.455 1.766 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -65.46 -11.37 42.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.359 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.499 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 1.6 t70 -105.92 -9.22 17.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.658 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -129.21 -152.21 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 107.972 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.678 ' CD2' ' CB ' ' A' ' 16' ' ' SER . 34.5 t80 57.57 120.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.597 ' OG1' HG22 ' A' ' 10' ' ' THR . 69.6 p -108.64 101.45 43.43 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.391 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.5 7.68 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.22 -3.48 50.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.597 HG22 ' OG1' ' A' ' 7' ' ' THR . 8.8 t -143.83 39.68 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 t -150.24 162.63 40.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 108.285 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.25 -43.73 69.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.77 ' CE2' HG21 ' A' ' 22' ' ' THR . 46.9 m-85 -85.74 154.75 21.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.2 -9.96 32.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.678 ' HB2' HG22 ' A' ' 18' ' ' THR . 0.3 OUTLIER -100.17 139.07 36.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.788 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.678 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 1.1 p -82.37 -36.21 27.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -64.44 -54.17 36.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.678 HG22 ' HB2' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -66.74 -35.72 80.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.396 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -61.49 -57.63 11.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.511 ' NE1' HG21 ' A' ' 24' ' ' THR . 1.8 t-105 -54.79 -52.41 62.74 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.533 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -55.19 -46.08 75.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.355 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.77 HG21 ' CE2' ' A' ' 13' ' ' TYR . 95.6 m -70.89 -18.53 62.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -87.51 -35.47 18.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.295 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.511 HG21 ' NE1' ' A' ' 20' ' ' TRP . 1.9 p -84.69 58.29 4.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.424 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 21' ' ' THR . 11.5 p -139.55 161.51 56.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.381 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 123.55 7.96 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.537 1.809 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.33 -153.38 8.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.441 1.088 . . . . 0.0 111.045 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -101.48 -42.99 6.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 0.755 . . . . 0.0 110.326 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.5 p -112.46 45.54 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -68.93 -61.78 1.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.296 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.574 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 4.5 t80 -75.0 -6.53 49.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.8 m -89.81 -33.93 16.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.1 p -70.03 -28.81 65.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.312 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 71.4 m -58.19 -39.77 79.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 108.273 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.2 t -78.0 0.42 24.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.971 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.2 m -128.44 13.87 6.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.598 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -144.02 18.66 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 108.285 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 35.2 m-85 -157.85 173.69 16.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 19.4 t70 -110.1 -103.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.562 HG13 HG23 ' A' ' 41' ' ' VAL . 9.5 p -94.91 -52.97 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.562 HG23 HG13 ' A' ' 40' ' ' VAL . 60.4 t -71.99 -72.3 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.562 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -32.82 -34.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 41' ' ' VAL . 9.1 tt0 -74.79 -61.28 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 110.338 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -66.73 -15.22 63.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.264 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.01 -45.13 11.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 48.8 t -71.45 -28.14 63.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 108.3 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.561 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 12.0 mt-30 -55.28 -44.99 76.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.3 mtt -71.42 -43.2 67.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' GLN . 3.7 m -80.38 2.75 23.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -63.4 82.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.5 OUTLIER -91.45 53.41 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 108.334 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.674 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo -74.94 1.61 7.52 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -57.76 -35.23 70.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.552 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 2.1 t70 -80.35 -16.86 53.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.674 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -122.08 -154.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 108.002 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 8' ' ' PRO . 17.7 t80 57.57 119.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.7 p -111.85 96.27 32.6 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.5 Cg_endo -74.99 -9.68 20.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.55 -6.49 57.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.0 t -143.51 39.97 1.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.419 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.4 t -145.78 -179.54 6.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 108.313 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.41 -34.04 12.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.576 ' CZ ' HG21 ' A' ' 22' ' ' THR . 30.7 m-85 -84.85 143.0 29.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.04 -12.41 39.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.525 1.14 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.698 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -101.7 142.98 32.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.35 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.432 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 53.9 p -84.66 -38.73 19.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -64.95 -49.8 68.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.636 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -69.64 -34.61 74.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -61.12 -57.83 10.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.404 ' CZ3' ' HZ3' ' A' ' 5' ' ' TRP . 2.9 t-105 -55.01 -52.7 62.34 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -54.25 -58.11 8.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.401 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.576 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 36.0 m -56.84 -17.43 9.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.4 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -90.04 -39.17 13.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 108.284 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.51 59.1 5.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.427 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 21' ' ' THR . 2.1 p -143.34 163.28 38.01 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.415 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 127.64 10.83 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.541 1.811 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.23 -143.95 4.21 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.781 ' HG3' HG23 ' A' ' 29' ' ' THR . 19.2 pt20 -111.16 -42.83 3.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 110.31 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.781 HG23 ' HG3' ' A' ' 28' ' ' GLN . 19.0 p -112.56 42.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -64.1 -60.22 3.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.246 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.563 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 15.1 t80 -75.19 -16.15 60.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.434 ' HB ' ' CA ' ' A' ' 29' ' ' THR . 2.3 m -73.08 -39.82 65.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.458 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.3 p -74.25 -21.34 59.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 108.291 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.6 m -65.81 -11.7 48.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.275 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 t -113.66 0.93 14.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.3 p -114.22 -39.53 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.604 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -93.93 24.65 4.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 108.339 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 19.5 m-85 -157.17 170.58 22.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 13.2 t0 -111.03 -104.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.574 HG13 HG23 ' A' ' 41' ' ' VAL . 8.2 p -93.73 -53.59 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.574 HG23 HG13 ' A' ' 40' ' ' VAL . 43.7 t -70.72 -66.56 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.593 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -36.34 -30.84 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.534 1.146 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 41' ' ' VAL . 22.4 tt0 -79.06 -61.29 2.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -16.89 63.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.02 -45.31 11.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.589 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 50.5 t -76.26 -24.61 54.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 108.303 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.563 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 4.6 mt-30 -62.3 -53.5 54.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 49' ' ' SER . 13.6 ptm -66.94 -32.03 73.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 51' ' ' GLN . 0.5 OUTLIER -95.81 10.07 38.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 109.998 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -62.4 82.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 49' ' ' SER . 16.6 tt0 -93.75 64.35 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 108.33 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.445 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.1 Cg_endo -75.06 50.07 2.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.788 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 4' ' ' ASP . 7.1 pt-20 -85.26 -45.71 11.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.479 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 5.0 m-20 -74.76 -17.37 60.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.471 ' CD1' ' HB2' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -117.11 -155.43 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 108.012 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.521 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 17.2 t80 57.35 119.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 76.1 p -111.15 96.81 32.23 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.415 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.0 -1.18 10.89 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.541 1.811 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -87.15 -16.05 36.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.4 t -134.56 39.75 3.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.414 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -150.23 154.38 37.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 108.287 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.35 50.47 1.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.596 ' CD1' ' SG ' ' A' ' 37' ' ' CYS . 31.5 m-85 -142.19 130.82 22.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -97.55 23.61 35.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.566 ' HB2' HG22 ' A' ' 18' ' ' THR . 1.1 m-20 -156.28 142.64 18.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 0.767 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.521 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 89.1 p -82.02 -34.3 29.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.89 -50.55 66.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.566 HG22 ' HB2' ' A' ' 15' ' ' ASP . 1.7 t -66.47 -32.46 73.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.423 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.52 -60.7 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.46 ' CE3' ' CZ ' ' A' ' 38' ' ' PHE . 4.3 t-105 -55.51 -48.99 73.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 107.969 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.441 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -54.53 -63.4 1.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 110.383 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.43 HG21 ' HE2' ' A' ' 13' ' ' TYR . 83.7 m -54.65 -19.54 6.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -82.11 -45.14 15.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 108.29 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 p -84.51 69.46 10.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 21' ' ' THR . 3.1 p -147.17 161.07 37.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 121.53 6.64 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.791 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.57 -166.28 32.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -84.04 -33.23 24.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 0.742 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.402 ' HB ' ' HB ' ' A' ' 32' ' ' THR . 62.7 p -114.43 47.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.5 t -68.47 -51.79 39.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 108.329 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.585 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 21.4 t80 -88.72 -17.81 29.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.402 ' HB ' ' HB ' ' A' ' 29' ' ' THR . 30.8 m -72.86 -40.16 65.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.438 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -69.36 -21.88 63.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 108.301 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.7 m -68.5 -8.88 45.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 108.313 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.4 t -115.93 1.79 13.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.992 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 p -107.13 -45.43 4.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.596 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 1.0 OUTLIER -93.94 28.4 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 108.278 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 28.0 m-85 -158.4 168.51 26.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.429 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 18.5 t70 -110.95 -104.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.621 HG13 HG23 ' A' ' 41' ' ' VAL . 9.0 p -93.81 -54.62 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.621 HG23 HG13 ' A' ' 40' ' ' VAL . 47.6 t -71.53 -63.16 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.591 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -36.36 -32.51 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 111.052 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' VAL . 1.7 tm-20 -80.01 -55.04 5.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.6 -20.05 66.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.14 -43.89 12.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 47.8 t -74.55 -24.41 58.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 108.276 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.585 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 0.6 OUTLIER -58.58 -49.77 76.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -40.7 95.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.4 t -74.99 -22.49 58.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -49.64 98.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -102.08 54.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 108.32 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.522 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.683 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo -75.01 5.76 3.8 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.451 1.764 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.15 -42.79 91.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.565 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.7 OUTLIER -74.21 -15.25 61.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.683 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -123.22 -154.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 108.019 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.504 ' CD2' ' CB ' ' A' ' 16' ' ' SER . 24.3 t80 57.69 122.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.058 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.4 p -111.67 99.19 43.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.408 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.05 0.65 8.67 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.455 1.766 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -88.83 -14.24 37.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.6 t -135.62 43.85 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.365 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.37 164.13 38.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 108.314 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.62 -33.19 41.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.238 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.565 ' CE1' HG21 ' A' ' 22' ' ' THR . 14.2 m-85 -84.86 143.69 28.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -98.15 -27.76 8.58 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.103 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.676 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 5.7 m-20 -88.46 142.89 27.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.504 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 28.5 p -82.5 -33.77 28.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.98 -48.21 59.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.574 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -71.72 -33.54 68.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -61.26 -56.76 16.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.499 ' NE1' HG21 ' A' ' 24' ' ' THR . 2.2 t-105 -57.19 -50.59 72.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.013 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.533 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -55.67 -51.15 68.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.404 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.565 HG21 ' CE1' ' A' ' 13' ' ' TYR . 87.1 m -63.82 -19.56 65.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.383 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.77 -35.47 19.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.325 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.499 HG21 ' NE1' ' A' ' 20' ' ' TRP . 1.9 p -84.32 60.65 6.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.405 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 21' ' ' THR . 54.1 p -138.7 160.32 63.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.446 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 122.76 7.39 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.54 1.811 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.21 -144.69 4.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -109.91 -45.96 3.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 110.264 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.5 p -109.45 41.52 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.392 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 t -65.57 -58.17 6.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 108.307 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.585 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 2.4 t80 -76.86 -4.21 42.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -93.56 -34.01 13.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.373 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.9 p -67.12 -29.56 69.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 108.317 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 72.6 m -57.79 -39.18 76.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 108.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.5 p -76.61 0.34 20.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 m -127.38 9.99 6.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.599 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -140.1 17.59 2.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 108.306 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 39.6 m-85 -158.03 173.34 16.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.434 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 38.1 t0 -110.01 -104.03 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 3.7 p -94.99 -50.72 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 43' ' ' GLU . 21.3 t -72.03 -74.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.593 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -33.83 -33.05 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 41' ' ' VAL . 18.6 tt0 -76.92 -60.65 2.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -65.97 -18.15 65.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.39 -48.99 8.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 52.2 t -65.86 -28.41 68.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 108.337 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.57 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 9.0 mt-30 -56.93 -49.14 76.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.8 mtm -64.78 -48.39 74.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 51' ' ' GLN . 11.3 t -67.9 -21.08 65.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.973 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -45.8 95.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' SER . 13.7 tt0 -112.4 53.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 108.34 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.52 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.643 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo -75.03 0.47 8.88 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.5 1.79 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.73 -34.1 72.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.421 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 1.9 t70 -78.9 -30.51 44.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.643 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -102.94 -158.95 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 107.992 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 23.8 t80 57.71 120.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.443 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 65.1 p -109.61 99.9 39.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.346 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.5 Cg_endo -74.99 0.97 8.25 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -90.4 -12.92 36.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.443 ' CG2' ' OG1' ' A' ' 7' ' ' THR . 3.2 t -138.02 45.41 2.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.47 148.82 23.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 108.294 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.91 -32.93 74.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.486 ' CZ ' HG21 ' A' ' 22' ' ' THR . 15.6 m-85 -89.92 131.58 35.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -97.13 10.19 65.57 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.508 1.13 . . . . 0.0 111.055 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.593 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -119.59 140.72 50.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.747 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.564 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -79.91 -32.51 40.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.021 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -64.95 -60.84 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.558 HG22 ' HB2' ' A' ' 15' ' ' ASP . 1.3 t -61.48 -30.24 70.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.378 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.593 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -65.6 -62.14 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.241 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.687 ' NE1' HG21 ' A' ' 24' ' ' THR . 4.7 t-105 -54.85 -47.1 74.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 107.985 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 25' ' ' THR . 1.0 OUTLIER -54.83 -64.18 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.486 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 10.1 m -54.65 -21.11 9.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.423 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.428 ' SG ' ' C ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -83.22 -42.72 16.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 108.293 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.687 HG21 ' NE1' ' A' ' 20' ' ' TRP . 14.7 p -84.63 68.26 10.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.367 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 21' ' ' THR . 2.4 p -148.86 158.93 38.82 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 123.52 7.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.27 -163.49 26.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -91.33 -40.56 11.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 0.735 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.1 p -110.53 44.93 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 t -69.84 -56.27 7.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 108.248 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.588 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 53.3 t80 -72.79 -24.09 60.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.1 m -70.53 -34.57 72.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.423 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.428 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -74.85 -22.71 58.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 108.306 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.7 m -68.84 -8.47 43.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 108.285 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.3 t -116.24 1.61 13.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.99 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.5 t -105.75 -47.39 3.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.535 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 1.3 m -93.56 30.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 108.33 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.59 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 23.4 m-85 -158.3 169.25 24.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.429 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 17.8 t70 -112.89 -105.1 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.656 HG13 HG23 ' A' ' 41' ' ' VAL . 9.8 p -93.96 -55.02 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.656 HG23 HG13 ' A' ' 40' ' ' VAL . 59.6 t -71.88 -57.57 7.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.59 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -41.01 -31.85 0.51 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' GLN . 4.0 tm-20 -81.4 -54.74 5.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.776 . . . . 0.0 110.28 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.89 -19.55 65.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.4 -44.87 11.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.623 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 42.3 t -76.83 -21.38 55.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 108.285 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.588 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 1.0 OUTLIER -64.34 -47.46 79.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -41.02 73.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.6 t -73.98 -30.74 62.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 46' ' ' CYS . . . -45.49 105.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -103.95 53.25 0.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.351 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 108.309 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.645 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo -74.98 0.15 9.25 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 111.044 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -57.32 -30.52 64.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.509 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.9 OUTLIER -84.79 -21.65 29.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.645 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -117.79 -153.33 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 107.977 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 8' ' ' PRO . 19.9 t80 58.95 124.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 49.3 p -112.58 95.05 30.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.401 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.06 0.29 9.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.463 1.77 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.88 -5.31 55.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.6 t -145.14 45.39 1.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 110.431 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -160.73 164.74 31.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 108.254 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.433 ' C ' ' CD1' ' A' ' 13' ' ' TYR . . . -96.56 52.11 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.542 ' CD2' ' HA ' ' A' ' 19' ' ' ALA . 29.6 m-85 -144.96 138.75 27.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -96.01 -36.25 5.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.464 ' HB2' ' CG2' ' A' ' 18' ' ' THR . 41.3 m-20 -99.39 150.96 21.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.8 p -85.08 -38.4 19.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -65.57 -40.87 93.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -72.13 -39.98 68.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 110.37 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.542 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . . . -57.52 -57.08 14.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.656 ' NE1' HG21 ' A' ' 24' ' ' THR . 2.3 t-105 -56.78 -45.77 81.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 108.015 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.634 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -57.28 -59.8 4.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.394 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.2 m -56.52 -19.42 15.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.59 -38.73 18.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 108.326 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.656 HG21 ' NE1' ' A' ' 20' ' ' TRP . 19.5 p -84.95 47.34 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 21' ' ' THR . 10.7 p -136.1 160.76 65.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.376 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 119.73 5.75 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.446 1.761 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -160.48 -138.88 2.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.88 -31.39 8.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.2 p -126.97 55.16 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.371 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.3 t -70.38 -32.7 70.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 108.303 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.563 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 48.5 t80 -109.04 -19.27 13.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.6 m -81.62 -25.29 35.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.446 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.9 p -73.55 -42.08 62.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 108.31 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 80.4 m -59.16 -17.69 29.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 108.325 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.2 t -89.02 0.65 56.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.0 m -144.24 17.74 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.027 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.52 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -135.11 15.7 3.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 108.31 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 67.0 m-85 -156.4 175.45 13.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -102.29 -85.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.6 p -130.47 -42.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.533 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 3.2 t -73.92 -51.25 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.562 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -62.94 -36.28 93.21 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.437 ' N ' ' HB3' ' A' ' 38' ' ' PHE . 28.9 tt0 -73.53 -45.52 53.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -74.94 -25.91 59.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 41' ' ' VAL . . . -83.25 -37.09 23.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 48.8 t -74.11 -28.28 61.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 108.335 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.563 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 16.6 mt-30 -54.85 -52.79 61.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 mmm -66.86 -29.54 69.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.9 -36.33 59.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.32 109.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.81 53.32 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.1 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 108.279 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.518 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.66 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo -74.99 1.23 7.96 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -58.87 -31.65 68.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.552 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.6 OUTLIER -84.23 -14.39 50.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.66 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -124.71 -154.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.675 ' CD2' ' CB ' ' A' ' 16' ' ' SER . 22.9 t80 58.07 121.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.403 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 77.5 p -110.79 99.63 42.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.382 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.04 1.12 8.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.523 1.801 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -89.69 -17.34 28.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.403 ' CG2' ' OG1' ' A' ' 7' ' ' THR . 1.7 t -131.43 39.77 3.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.395 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 t -150.09 149.35 30.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.315 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.01 -10.97 44.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.782 ' OH ' HG21 ' A' ' 22' ' ' THR . 50.3 m-85 -108.97 153.51 23.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.21 -24.69 6.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.606 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 2.6 m-20 -89.2 145.96 25.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.675 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -88.47 -31.9 18.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -70.49 -54.47 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.429 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -64.63 -41.51 96.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.606 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -55.97 -56.88 15.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.535 ' NE1' HG21 ' A' ' 24' ' ' THR . 1.9 t-105 -54.69 -46.43 74.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 108.024 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 25' ' ' THR . 0.8 OUTLIER -54.31 -56.11 21.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.375 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.782 HG21 ' OH ' ' A' ' 13' ' ' TYR . 2.9 m -61.87 -29.46 70.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -72.25 -39.84 68.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 108.28 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.535 HG21 ' NE1' ' A' ' 20' ' ' TRP . 4.3 p -84.59 72.65 10.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.418 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 21' ' ' THR . 71.3 p -150.0 157.9 37.34 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 120.75 6.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.02 -152.36 7.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.2 -44.07 5.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 0.74 . . . . 0.0 110.341 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.3 p -111.18 40.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.368 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.1 t -63.9 -58.07 7.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.262 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -65.92 -34.24 77.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.8 m -64.84 -34.23 77.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.412 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -63.63 -39.12 93.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 108.32 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.452 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 77.3 m -59.23 -36.19 75.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 108.304 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.9 t -77.95 0.79 22.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -129.63 10.56 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.603 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -139.96 18.26 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 108.3 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 37.7 m-85 -157.84 172.27 18.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.431 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 40.3 t0 -108.66 -104.35 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 41' ' ' VAL . 7.0 p -94.66 -51.76 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.564 ' O ' ' N ' ' A' ' 45' ' ' ALA . 26.1 t -71.51 -74.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.56 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -32.61 -34.65 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 41' ' ' VAL . 9.3 tt0 -74.3 -57.11 4.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' VAL . 6.4 pt20 -71.71 -15.89 62.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.564 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.6 -45.16 12.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.492 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 46.5 t -71.83 -28.04 63.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 108.321 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.59 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -54.68 -49.13 71.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.9 mmt -64.97 -49.89 68.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' GLN . 1.9 m -67.12 -17.56 64.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -48.3 94.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' SER . 12.2 tt0 -110.27 54.48 0.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 108.321 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.4 t30 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.634 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo -75.03 0.03 9.42 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -26.33 60.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.515 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 3.0 t70 -88.12 -17.93 29.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.634 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -123.02 -153.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.5 ' CD2' ' CB ' ' A' ' 16' ' ' SER . 19.6 t80 58.63 126.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.7 p -116.52 98.12 51.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.372 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.4 Cg_endo -74.98 0.67 8.61 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.477 1.777 . . . . 0.0 111.035 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.29 -3.34 53.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.3 t -144.96 44.69 1.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 110.418 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.74 167.92 28.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.299 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.92 -29.82 35.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.366 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.434 ' CZ ' HG21 ' A' ' 22' ' ' THR . 26.8 m-85 -84.96 142.54 29.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.06 -21.18 12.15 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.692 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -96.04 148.24 22.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.5 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 9.7 p -87.94 -40.9 13.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.02 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.87 -48.14 75.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.617 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -69.75 -36.13 75.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.382 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -59.87 -57.41 13.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -56.7 -49.18 75.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 108.001 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.85 -56.82 15.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.434 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 96.1 m -60.89 -18.44 56.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.88 -38.22 23.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 108.278 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -84.29 66.41 9.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.9 p -153.24 161.84 28.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.425 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 121.54 6.65 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.46 1.768 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.68 -154.55 7.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -95.79 -35.6 11.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.786 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.412 ' HB ' ' HB ' ' A' ' 32' ' ' THR . 69.1 p -123.68 54.89 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.385 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.6 t -70.54 -53.73 14.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 108.338 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.569 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 8.4 t80 -89.03 -6.05 57.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 111.03 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.412 ' HB ' ' HB ' ' A' ' 29' ' ' THR . 5.3 m -91.05 -28.5 17.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.382 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.4 p -67.98 -42.98 79.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 108.33 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.445 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 67.8 m -56.02 -30.15 61.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 108.299 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 p -80.46 0.4 33.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.027 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.08 17.48 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.977 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.52 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -141.3 17.13 2.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 108.275 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 46.5 m-85 -156.96 169.85 23.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -98.34 -82.89 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.532 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 1.6 p -129.99 -50.3 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.572 ' HB ' ' CD1' ' A' ' 5' ' ' TRP . 5.2 t -72.77 -38.71 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.348 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.434 ' HA2' ' CE3' ' A' ' 5' ' ' TRP . . . -66.18 -37.1 92.68 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.525 1.14 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.435 ' N ' ' HB3' ' A' ' 38' ' ' PHE . 15.4 tt0 -84.36 -44.21 13.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 0.809 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.532 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 4.8 mm100 -65.22 -29.39 70.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 41' ' ' VAL . . . -84.93 -36.45 21.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 50' ' ' ALA . 43.9 t -74.88 -28.82 60.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 108.261 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.569 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 6.7 mt-30 -57.7 -47.1 83.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.28 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.3 mtm -69.41 -48.27 61.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.7 t -64.94 -27.95 69.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.977 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -50.88 106.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.45 52.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 108.301 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.4 m120 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.655 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.2 Cg_endo -75.08 1.03 8.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.778 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -40.04 79.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.42 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.5 OUTLIER -73.64 -33.53 64.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.655 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -100.06 -160.37 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 107.988 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 19.2 t80 58.29 125.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 44.6 p -108.89 100.69 40.93 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.372 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 1.22 8.0 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.779 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.77 -9.89 36.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.4 t -145.17 41.52 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.357 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.6 t -134.85 160.4 38.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 108.305 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.58 -47.03 70.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.533 ' CE2' HG21 ' A' ' 22' ' ' THR . 17.9 m-85 -98.46 162.48 13.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.59 0.4 42.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.613 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -102.13 135.9 42.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 0.729 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.567 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 2.7 p -79.86 -34.54 39.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -65.11 -53.67 41.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.55 -35.09 78.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.389 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -59.92 -57.56 12.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -56.97 -48.55 78.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 108.013 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.681 ' O ' HG23 ' A' ' 25' ' ' THR . 0.8 OUTLIER -54.44 -60.49 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.332 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.533 HG21 ' CE2' ' A' ' 13' ' ' TYR . 46.9 m -56.53 -24.6 47.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -78.39 -41.19 33.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 108.312 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 49' ' ' SER . 1.8 p -84.58 58.91 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.681 HG23 ' O ' ' A' ' 21' ' ' THR . 70.9 p -137.11 153.59 75.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 110.421 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 127.59 10.77 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.482 1.78 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.12 -143.2 3.91 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -109.11 -26.59 10.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.409 ' HB ' ' HB ' ' A' ' 32' ' ' THR . 35.4 p -121.95 40.89 3.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 t -57.66 -68.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -68.01 -26.82 66.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.409 ' HB ' ' HB ' ' A' ' 29' ' ' THR . 8.7 m -64.27 -31.54 72.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.403 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.425 ' O ' ' SG ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -80.75 -23.88 39.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.278 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.4 m -68.94 -8.77 47.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 108.293 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 p -117.0 1.82 12.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.04 -49.2 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.037 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.587 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 75.3 m -93.54 31.35 1.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 108.313 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.589 ' CE2' ' HB2' ' A' ' 46' ' ' CYS . 14.9 m-85 -157.81 168.56 26.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.426 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 21.7 t70 -113.09 -104.67 0.4 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.591 HG13 HG23 ' A' ' 41' ' ' VAL . 9.2 p -95.43 -53.68 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.591 HG23 HG13 ' A' ' 40' ' ' VAL . 21.4 t -71.73 -53.49 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.571 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -47.03 -29.96 4.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.52 1.138 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' GLN . 5.2 tt0 -81.94 -59.18 2.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.4 ' HG2' ' HA ' ' A' ' 41' ' ' VAL . 1.9 pt20 -63.43 -18.47 63.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.9 -45.08 11.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.589 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 42.4 t -75.02 -28.18 60.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 108.274 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 43' ' ' GLU . 1.4 mt-30 -54.46 -45.18 73.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.4 mtt -78.35 -0.58 29.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' GLN . 1.4 m -124.78 7.2 8.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.085 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -62.79 82.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.1 OUTLIER -84.9 67.63 10.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 108.277 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.518 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.647 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo -74.96 1.41 7.74 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.443 1.759 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.26 -33.49 65.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.42 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.5 OUTLIER -77.58 -28.27 51.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.647 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -112.73 -153.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.03 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 37.8 t80 57.97 121.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.9 p -112.84 95.64 34.4 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.05 1.17 8.06 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.32 -3.88 49.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 t -145.21 40.78 1.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.44 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -146.04 -178.17 5.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.276 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.27 -35.74 12.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.523 ' CD2' HG23 ' A' ' 18' ' ' THR . 4.0 m-30 -87.55 145.59 26.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.13 -4.13 54.02 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.625 ' HB2' HG22 ' A' ' 18' ' ' THR . 27.4 m-20 -102.95 151.05 22.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.581 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 87.9 p -97.4 -34.07 11.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.028 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -72.18 -42.58 65.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.625 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -75.67 -36.21 60.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.415 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -60.39 -55.0 38.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.591 ' NE1' HG21 ' A' ' 24' ' ' THR . 1.7 t-105 -57.15 -51.11 70.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 107.978 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 25' ' ' THR . 0.8 OUTLIER -54.9 -58.47 7.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.51 HG21 ' CE2' ' A' ' 13' ' ' TYR . 13.8 m -57.05 -18.1 12.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.09 -38.31 13.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.31 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.591 HG21 ' NE1' ' A' ' 20' ' ' TRP . 1.4 p -84.28 56.33 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.083 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 21' ' ' THR . 2.6 p -141.84 158.27 62.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.391 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 127.33 10.58 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.529 1.805 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -169.23 -147.14 5.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 29' ' ' THR . 5.8 pt20 -104.64 -35.04 7.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.414 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 23.7 p -121.79 51.64 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.385 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -66.96 -71.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 108.316 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -69.21 -17.34 63.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 111.028 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.4 m -67.19 -30.61 70.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.3 p -90.46 -16.0 29.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 108.323 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.9 m -65.75 -10.46 37.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 108.296 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.5 p -116.01 1.48 13.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.2 m -108.33 -43.91 4.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -93.16 29.8 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 108.274 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.498 ' HB3' ' C ' ' A' ' 42' ' ' GLY . 48.6 m-85 -157.61 174.69 14.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.42 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 33.2 t0 -116.41 -104.48 0.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.651 HG12 ' N ' ' A' ' 41' ' ' VAL . 0.9 OUTLIER -93.76 -66.41 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.651 ' N ' HG12 ' A' ' 40' ' ' VAL . 60.7 t -68.57 -44.0 83.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.498 ' C ' ' HB3' ' A' ' 38' ' ' PHE . . . -48.49 -32.92 10.94 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -85.12 -50.13 7.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.437 ' CG ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -63.5 -20.97 66.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.318 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.58 -39.18 16.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 50' ' ' ALA . 34.2 t -75.95 -31.48 59.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.328 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.92 -47.93 73.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 27.4 mmt -67.65 -38.79 84.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 51' ' ' GLN . 3.3 m -88.91 10.49 21.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.974 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -66.93 72.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' SER . 2.2 mp0 -84.97 66.48 9.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.24 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 108.334 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.689 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo -74.97 1.47 7.69 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.533 1.807 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -56.13 -38.86 71.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.506 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 2.4 t70 -71.99 -23.88 61.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.689 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -114.79 -154.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.575 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 24.3 t80 58.05 124.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.1 p -109.19 100.56 41.36 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -5.08 16.34 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.531 1.806 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.81 -11.96 49.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 t -144.66 43.17 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.4 t -135.16 161.02 36.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 108.306 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.62 -45.98 67.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.738 ' CE2' HG21 ' A' ' 22' ' ' THR . 46.1 m-85 -98.34 159.12 15.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.54 6.06 55.05 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.694 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 2.5 m-20 -110.01 141.16 43.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.575 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 50.0 p -85.14 -34.51 22.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.013 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.55 -53.24 36.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.689 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.7 OUTLIER -67.95 -33.48 74.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -61.54 -57.74 10.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.595 ' NE1' HG21 ' A' ' 24' ' ' THR . 3.4 t-105 -56.53 -51.68 67.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 108.022 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.83 -60.59 3.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.738 HG21 ' CE2' ' A' ' 13' ' ' TYR . 73.3 m -54.79 -18.56 4.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.402 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.03 -39.22 14.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.595 HG21 ' NE1' ' A' ' 20' ' ' TRP . 21.5 p -84.06 62.05 6.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.408 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.403 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 7.8 p -151.89 155.59 33.78 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.37 4.88 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.451 1.764 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.82 -130.98 1.19 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -112.08 -30.42 7.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.1 p -127.68 57.44 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 34.5 t -70.95 -39.65 72.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 108.296 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -107.61 -23.27 12.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.6 m -65.75 -29.42 69.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.0 p -87.51 -19.49 27.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 108.305 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.8 m -65.65 -11.33 43.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 108.309 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.2 p -115.29 1.97 13.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.17 -42.08 4.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.641 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 60.8 m -95.06 26.75 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 108.258 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.641 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 18.7 m-85 -157.32 167.91 28.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 29.7 t0 -109.58 -104.54 0.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 41' ' ' VAL . 9.7 p -94.6 -50.56 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.559 HG11 ' NE1' ' A' ' 5' ' ' TRP . 14.0 t -69.77 -70.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.628 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -35.15 -32.0 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.55 1.156 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 41' ' ' VAL . 1.8 tt0 -73.44 -63.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -68.59 -16.26 63.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.39 -43.09 13.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 47.5 t -74.88 -33.98 62.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 108.262 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 43' ' ' GLU . 1.2 mp0 -54.12 -38.24 65.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.5 mmm -76.24 -23.47 54.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.02 -27.35 19.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -45.97 101.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -117.99 53.17 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 25' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 108.269 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.641 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.2 Cg_endo -74.92 1.07 8.1 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.526 1.803 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 4' ' ' ASP . 7.1 pt-20 -59.48 -38.61 81.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.337 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 3' ' ' GLU . 1.2 m-20 -79.63 -32.29 41.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.641 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -102.88 -154.66 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 108.018 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 8' ' ' PRO . 19.9 t80 57.98 120.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.9 p -112.83 94.3 28.4 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.449 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.1 Cg_endo -74.99 -11.58 21.49 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.758 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.34 -7.13 53.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.7 t -144.87 39.86 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.424 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -149.95 163.23 38.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 108.257 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.508 ' C ' ' CD1' ' A' ' 13' ' ' TYR . . . -97.3 52.46 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.601 ' CD1' ' SG ' ' A' ' 37' ' ' CYS . 15.0 m-85 -146.81 142.96 28.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -97.77 -29.63 7.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.428 ' HB2' ' CG2' ' A' ' 18' ' ' THR . 14.8 m-20 -104.49 152.49 22.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.505 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 79.5 p -87.42 -36.85 17.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -64.85 -40.6 95.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.428 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 1.5 t -71.19 -41.38 70.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.42 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.436 ' CB ' ' CE1' ' A' ' 6' ' ' PHE . . . -56.26 -57.15 13.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -55.23 -50.11 70.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 108.01 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -54.7 -54.6 39.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.407 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.6 m -62.48 -18.25 61.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.385 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -82.89 -39.84 21.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 108.3 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.438 HG21 ' HB3' ' A' ' 49' ' ' SER . 7.3 p -84.82 59.15 5.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 21' ' ' THR . 29.1 p -133.66 157.86 76.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.35 11.41 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.83 -157.75 17.84 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -97.75 -14.45 20.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.9 p -132.34 45.5 2.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.424 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -64.7 -62.75 1.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.29 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.572 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 29.0 t80 -72.39 -22.81 61.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.0 m -68.98 -40.96 78.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.386 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.434 ' O ' ' SG ' ' A' ' 23' ' ' CYS . 1.3 t -68.33 -25.87 65.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 108.266 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.3 m -67.05 -9.57 40.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 108.339 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.9 t -116.0 1.54 13.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.036 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.13 -44.32 4.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.601 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -93.69 28.62 2.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 108.334 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.475 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 54.2 m-85 -158.0 173.21 17.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.424 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 18.1 t70 -112.86 -106.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.639 HG13 HG23 ' A' ' 41' ' ' VAL . 9.8 p -96.36 -55.43 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.639 HG23 HG13 ' A' ' 40' ' ' VAL . 59.8 t -71.56 -52.8 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.475 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -46.59 -30.87 4.82 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -82.39 -53.28 6.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -22.45 66.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.16 -40.11 15.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 50' ' ' ALA . 38.5 t -74.3 -28.87 61.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 108.278 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.572 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 1.5 mt-30 -54.35 -40.93 68.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.4 mmt -69.82 -37.0 76.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.438 ' HB3' HG21 ' A' ' 24' ' ' THR . 0.4 OUTLIER -78.41 -25.26 46.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.958 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -45.41 101.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -100.79 53.57 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 108.296 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.658 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo -75.04 0.95 8.31 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.539 1.81 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -60.15 -28.86 68.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.547 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.6 OUTLIER -88.7 -12.14 43.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.263 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.658 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -126.34 -151.9 0.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 108.011 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.6 ' CZ ' ' O ' ' A' ' 15' ' ' ASP . 13.3 t80 59.12 128.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.9 p -110.07 99.95 41.58 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.6 Cg_endo -74.96 1.3 7.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.78 . . . . 0.0 111.039 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -93.75 -12.7 28.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 36' ' ' SER . 4.2 t -144.01 43.79 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 35.4 t -134.78 167.25 21.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 108.311 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.44 -34.7 78.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.546 ' CD2' HG23 ' A' ' 18' ' ' THR . 59.3 m-85 -121.44 173.5 7.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.51 -5.19 52.12 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.136 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.6 ' O ' ' CZ ' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -99.95 147.01 26.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.573 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -82.27 -27.94 32.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -71.9 -65.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.546 HG23 ' CD2' ' A' ' 13' ' ' TYR . 1.1 t -54.86 -35.64 64.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.375 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.533 ' CB ' ' CE1' ' A' ' 6' ' ' PHE . . . -65.32 -59.64 3.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.555 ' NE1' HG21 ' A' ' 24' ' ' THR . 2.2 t-105 -54.51 -41.99 70.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 108.025 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.705 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -58.57 -50.61 73.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.417 ' O ' ' OG1' ' A' ' 25' ' ' THR . 2.7 m -67.82 -19.56 65.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.352 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -82.46 -41.21 20.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.298 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.555 HG21 ' NE1' ' A' ' 20' ' ' TRP . 4.0 p -84.8 55.63 3.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.343 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 21' ' ' THR . 7.8 p -141.13 158.46 64.44 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 127.49 10.78 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.431 1.753 . . . . 0.0 111.042 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.05 -145.01 4.38 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.535 ' HG3' HG23 ' A' ' 29' ' ' THR . 10.8 pt20 -105.26 -33.75 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.535 HG23 ' HG3' ' A' ' 28' ' ' GLN . 2.2 p -123.15 51.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.416 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 t -65.21 -67.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 108.289 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.483 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 32.7 t80 -65.56 -26.53 67.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.1 m -72.87 -41.52 64.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.403 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.418 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -54.98 -38.62 68.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 108.319 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.443 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 66.3 m -57.35 -36.44 71.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 108.29 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.9 t -77.76 0.87 21.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -132.52 12.85 4.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.566 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 10.5 m -141.17 15.56 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.286 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 45.3 m-85 -158.13 171.24 20.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.428 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 39.6 t0 -106.09 -104.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.484 HG13 ' N ' ' A' ' 41' ' ' VAL . 7.8 p -95.79 -49.96 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' A' ' 45' ' ' ALA . 24.4 t -72.11 -75.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.583 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -32.85 -34.7 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 41' ' ' VAL . 14.7 tt0 -74.53 -59.58 2.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -67.71 -18.06 64.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.73 -46.63 10.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.487 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 42.2 t -65.78 -24.61 66.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.331 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.564 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 5.2 mt-30 -55.63 -49.14 73.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.68 -43.48 93.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 51' ' ' GLN . 1.0 OUTLIER -76.35 -8.9 58.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -59.11 86.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' SER . 8.0 tm0? -100.49 56.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 108.278 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.633 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo -74.98 0.63 8.66 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.24 -29.79 66.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.21 -31.51 33.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.633 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -106.04 -152.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.601 ' CZ ' ' O ' ' A' ' 15' ' ' ASP . 22.0 t80 58.45 124.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.0 p -113.72 98.92 48.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.418 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.2 Cg_endo -75.04 0.82 8.46 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -89.76 -12.0 40.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.3 t -138.28 47.8 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 36' ' ' SER . 0.7 OUTLIER -159.53 153.72 23.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 0.0 108.307 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.41 -31.57 71.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -84.79 150.3 25.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.35 -21.64 7.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.544 1.153 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.663 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -91.79 161.43 14.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.516 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 7.3 p -98.19 -40.42 8.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -64.89 -48.96 72.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.588 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -70.39 -37.04 74.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -60.34 -56.46 21.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.491 ' NE1' HG21 ' A' ' 24' ' ' THR . 3.0 t-105 -56.27 -49.61 73.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 108.004 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -55.06 -48.63 73.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.8 m -68.59 -21.43 64.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.43 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.458 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -81.43 -39.76 24.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 108.286 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.491 HG21 ' NE1' ' A' ' 20' ' ' TRP . 12.5 p -84.96 66.41 9.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 21' ' ' THR . 3.3 p -145.17 156.5 54.41 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 130.06 12.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -178.57 -148.87 7.8 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.562 1.164 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -101.43 -27.94 12.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 110.27 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.7 p -122.26 52.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.4 t -73.62 -49.79 24.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 108.336 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.582 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 23.0 t80 -86.93 -21.86 26.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.4 m -75.57 -39.69 57.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -44.95 75.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.267 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.458 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 62.0 m -58.36 -32.4 68.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.0 m -78.65 1.01 24.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 109.981 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.403 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 6.4 p -136.95 14.46 3.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.508 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -140.27 16.26 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.306 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.568 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 51.7 m-85 -157.03 166.35 33.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.76 -83.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -129.75 -45.09 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.529 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 13.1 t -74.33 -46.03 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.568 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -59.76 -40.15 96.25 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.499 1.124 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.469 ' N ' ' HB3' ' A' ' 38' ' ' PHE . 13.6 tt0 -75.04 -50.12 17.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 0.788 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 1.8 pp0? -65.11 -27.55 68.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 41' ' ' VAL . . . -84.23 -34.25 23.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 50' ' ' ALA . 43.5 t -74.61 -29.39 61.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 108.304 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.582 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 2.4 mt-30 -54.36 -46.99 73.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.245 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.9 mtt -65.31 -33.04 75.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -79.43 -28.93 41.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -46.03 98.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 49' ' ' SER . 13.5 tt0 -108.01 53.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 108.303 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.6 m120 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.681 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo -74.91 1.58 7.53 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 0.0 111.054 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -58.18 -43.75 87.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.433 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 9.4 t0 -70.79 -32.14 69.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.681 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -100.36 -162.65 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 22.4 t80 57.87 118.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.496 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 44.4 p -110.21 99.64 40.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.2 Cg_endo -75.02 -8.57 20.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -78.2 -20.1 52.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.496 ' CG2' ' OG1' ' A' ' 7' ' ' THR . 3.1 t -128.59 41.42 3.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.44 173.87 12.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.26 -35.24 20.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.552 ' CE2' HG21 ' A' ' 22' ' ' THR . 34.9 m-85 -85.61 154.95 21.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -111.85 -9.29 21.03 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.517 1.135 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.563 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -105.09 145.81 30.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 0.736 . . . . 0.0 109.314 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.581 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 1.6 p -85.73 -32.77 21.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -65.11 -56.1 14.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.525 HG22 ' HB2' ' A' ' 15' ' ' ASP . 1.2 t -65.37 -35.06 79.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -62.98 -58.74 6.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.4 ' O ' ' OG1' ' A' ' 24' ' ' THR . 3.2 t-105 -54.6 -49.28 70.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 107.995 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.668 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -54.04 -63.24 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.467 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.552 HG21 ' CE2' ' A' ' 13' ' ' TYR . 19.7 m -54.64 -18.93 5.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.423 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.429 ' SG ' ' C ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -84.39 -41.87 16.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 108.285 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 20' ' ' TRP . 1.0 OUTLIER -86.03 56.53 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.392 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 21' ' ' THR . 11.3 p -136.76 154.14 76.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 125.99 9.65 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.515 1.797 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.94 -137.02 2.15 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -112.58 -26.94 8.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.3 p -126.02 51.6 1.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.406 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 t -66.6 -67.77 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 108.31 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.578 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 33.4 t80 -67.59 -25.15 65.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.949 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -68.1 -42.34 80.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.429 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -68.78 -23.82 64.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 108.307 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 35.1 m -70.26 -7.28 41.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 108.308 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.8 t -116.14 1.41 13.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.3 -47.31 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.991 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.521 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 1.1 m -93.82 30.77 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 108.258 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.546 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 19.0 m-85 -158.21 168.16 27.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.408 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 31.0 t0 -113.49 -104.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.085 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.652 HG13 HG23 ' A' ' 41' ' ' VAL . 10.1 p -95.32 -55.59 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.652 HG23 HG13 ' A' ' 40' ' ' VAL . 7.2 t -73.11 -48.7 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.546 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -46.53 -38.7 9.64 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 47' ' ' GLN . 3.0 tt0 -85.1 -41.48 15.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 0.775 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 4.0 mm-40 -64.74 -27.7 69.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.22 -44.43 12.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 50' ' ' ALA . 15.6 t -67.85 -33.77 75.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 108.282 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.578 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -54.25 -38.78 66.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.9 mtt -74.63 -34.49 62.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 m -92.41 7.3 43.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -62.09 87.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -97.27 64.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.124 . . . . 0.0 108.279 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.636 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.2 Cg_endo -75.08 0.46 8.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -40.44 74.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.343 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -77.37 -40.89 42.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.636 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -92.34 -154.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 108.01 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.6 ' CE1' ' CB ' ' A' ' 19' ' ' ALA . 27.6 t80 58.04 117.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.1 p -113.25 93.8 27.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.416 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.55 ' HG3' ' CE2' ' A' ' 6' ' ' PHE . 18.4 Cg_endo -74.94 -13.88 21.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.65 -10.07 59.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -141.07 41.1 1.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.343 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.48 172.36 13.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 108.327 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.8 -37.99 23.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.826 ' CZ ' HG21 ' A' ' 22' ' ' THR . 28.5 m-85 -87.03 151.31 23.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -106.45 -13.25 23.07 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.67 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.1 m-20 -95.01 142.95 26.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.571 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 60.4 p -82.61 -38.53 23.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.988 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -65.34 -51.44 60.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.591 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -67.16 -35.38 79.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.358 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.67 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -59.89 -59.08 5.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.535 ' NE1' HG21 ' A' ' 24' ' ' THR . 2.5 t-105 -56.47 -48.77 76.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 108.021 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -55.01 -56.84 15.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.826 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 95.7 m -60.19 -18.04 45.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -85.79 -38.19 18.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 108.321 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.535 HG21 ' NE1' ' A' ' 20' ' ' TRP . 11.0 p -84.6 66.22 9.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 21' ' ' THR . 10.6 p -145.63 156.2 52.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.436 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 123.0 7.54 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.483 1.781 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.5 -158.62 15.88 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.539 1.15 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -87.18 -31.35 20.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 0.739 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.416 ' HB ' ' HB ' ' A' ' 32' ' ' THR . 57.1 p -117.85 50.87 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.437 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.7 t -67.27 -53.79 26.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 108.289 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.574 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 25.2 t80 -85.85 -23.58 27.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.95 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.416 ' HB ' ' HB ' ' A' ' 29' ' ' THR . 21.4 m -69.51 -43.02 73.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.44 ' O ' ' SG ' ' A' ' 23' ' ' CYS . 1.1 t -64.95 -26.27 68.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 108.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.7 m -68.07 -8.31 36.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.28 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.7 t -115.78 1.48 13.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -105.85 -45.82 4.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.027 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 6' ' ' PHE . 0.8 OUTLIER -94.04 30.67 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.288 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.463 ' HB3' ' C ' ' A' ' 42' ' ' GLY . 48.9 m-85 -158.28 173.68 16.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.41 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 45.3 t0 -115.24 -105.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.673 HG13 HG23 ' A' ' 41' ' ' VAL . 10.5 p -97.15 -55.82 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.673 HG23 HG13 ' A' ' 40' ' ' VAL . 26.4 t -71.93 -46.06 61.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.463 ' C ' ' HB3' ' A' ' 38' ' ' PHE . . . -53.2 -32.5 43.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 47' ' ' GLN . 4.1 tm-20 -83.44 -50.29 8.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -64.38 -24.29 67.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.598 1.186 . . . . 0.0 110.307 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.16 -38.93 17.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 50' ' ' ALA . 23.6 t -76.63 -27.02 55.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.179 . . . . 0.0 108.307 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.574 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 0.7 OUTLIER -54.71 -59.89 4.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.2 mtm -64.82 -9.33 19.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 111.039 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.1 p -97.91 -30.71 12.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -48.86 105.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.97 53.88 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 108.26 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.64 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -84.93 -40.91 16.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -81.59 -15.5 54.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.64 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -115.96 -156.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 107.97 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.695 ' CD2' ' CB ' ' A' ' 16' ' ' SER . 23.5 t80 58.02 125.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.5 p -116.6 98.38 51.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.362 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.02 0.1 9.33 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.51 1.795 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -89.52 -9.87 48.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.0 t -141.08 46.2 1.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.43 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 36' ' ' SER . 1.2 t -157.92 157.02 32.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.286 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.84 -41.5 95.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -84.79 134.21 34.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -96.11 6.44 66.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.584 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -119.11 139.73 51.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 0.75 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.695 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -77.39 -30.31 53.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -68.99 -66.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.51 HG22 ' HB2' ' A' ' 15' ' ' ASP . 1.2 t -55.22 -35.91 65.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -61.44 -62.16 2.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -54.72 -50.55 68.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 107.989 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.538 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -54.37 -58.59 6.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.402 ' O ' ' OG1' ' A' ' 25' ' ' THR . 42.3 m -59.53 -17.98 36.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.44 -37.94 22.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 108.315 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.0 p -83.82 51.46 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 21' ' ' THR . 24.7 p -136.93 161.17 63.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.389 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 122.71 7.36 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.548 1.815 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.31 -157.84 11.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -95.23 -38.9 10.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 0.775 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.1 p -116.24 51.04 0.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.463 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.4 t -72.57 -46.31 54.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 108.306 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.522 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 19.3 t80 -92.19 -11.5 35.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -86.68 -29.99 22.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.9 p -65.65 -41.03 93.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 108.329 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.441 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 43.1 m -55.45 -33.91 64.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 108.299 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.6 t -78.49 0.58 25.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.401 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -138.26 16.86 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.013 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.55 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -142.11 17.06 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 108.284 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.575 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 47.3 m-85 -157.47 174.44 15.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 39' ' ' ASP . 3.3 t0 -104.8 -80.27 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 41' ' ' VAL . 10.0 p -130.57 -47.51 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.533 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 12.3 t -74.5 -46.47 42.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.575 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -59.58 -37.51 92.32 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.418 1.074 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.436 ' N ' ' HB3' ' A' ' 38' ' ' PHE . 16.1 tt0 -78.86 -49.41 12.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -65.68 -26.2 67.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.253 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 41' ' ' VAL . . . -84.47 -33.41 23.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 41.0 t -81.93 -22.07 36.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 108.28 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.522 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 19.1 mt-30 -59.4 -57.96 10.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.0 mtt -69.53 -38.71 77.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.7 t -64.97 -49.08 71.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -48.2 114.33 0.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.07 53.62 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 108.236 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.674 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.994 -0.425 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -58.28 -35.04 71.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.54 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.5 OUTLIER -81.06 -16.49 53.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.674 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -121.66 -155.36 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.526 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 21.2 t80 56.87 117.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.532 ' OG1' HG22 ' A' ' 10' ' ' THR . 50.4 p -110.81 98.07 36.33 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.4 Cg_endo -74.94 -3.6 14.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.49 -4.04 59.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.532 HG22 ' OG1' ' A' ' 7' ' ' THR . 9.1 t -145.07 39.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 110.431 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -148.47 -179.85 7.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.246 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.74 -25.46 14.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 109.238 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.628 ' CZ ' HG21 ' A' ' 22' ' ' THR . 15.2 m-30 -84.78 141.35 30.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.17 -16.22 28.31 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.714 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -104.3 142.99 33.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 0.742 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.526 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 82.7 p -83.96 -39.05 20.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.951 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -64.64 -51.85 60.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.644 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -67.56 -33.8 75.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.419 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.714 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -60.78 -58.84 6.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.557 ' NE1' HG21 ' A' ' 24' ' ' THR . 2.0 t-105 -55.04 -52.96 61.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 107.987 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.652 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -55.9 -37.8 69.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.368 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.628 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 15.4 m -75.31 -18.69 59.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.48 -35.84 14.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.557 HG21 ' NE1' ' A' ' 20' ' ' TRP . 1.9 p -84.57 56.32 3.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 21' ' ' THR . 6.3 p -137.57 158.47 71.86 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 122.59 7.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.64 -144.45 4.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.75 -42.77 3.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.7 p -109.28 41.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.351 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.74 -61.72 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 108.312 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.57 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 11.2 t80 -73.58 -13.94 61.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.4 m -75.83 -40.82 54.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.7 p -74.75 -17.54 60.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 108.288 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.8 m -65.97 -11.09 45.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 108.289 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.1 t -114.59 1.15 14.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.92 -41.9 4.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.003 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.597 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -93.9 25.88 3.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 108.295 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 22.1 m-85 -157.82 171.49 20.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.431 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 12.2 t0 -112.67 -104.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.599 HG13 HG23 ' A' ' 41' ' ' VAL . 7.5 p -93.79 -54.02 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.599 HG23 HG13 ' A' ' 40' ' ' VAL . 74.2 t -71.48 -65.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.59 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -36.1 -31.47 0.04 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 41' ' ' VAL . 1.5 tm-20 -79.72 -59.78 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.742 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.09 -18.89 64.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.82 -41.65 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.564 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 42.1 t -74.18 -29.76 61.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 108.251 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.57 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 3.1 mt-30 -55.45 -52.32 64.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.432 ' HG3' ' N ' ' A' ' 49' ' ' SER . 18.5 ptm -65.68 -32.25 73.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.432 ' N ' ' HG3' ' A' ' 48' ' ' MET . 0.8 OUTLIER -91.27 4.36 52.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -63.04 82.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -93.02 67.12 4.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.247 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 108.299 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.651 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 110.956 -0.44 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -57.67 -29.59 64.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.511 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 9.3 t0 -86.18 -16.63 37.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.651 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -123.09 -154.21 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.011 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.673 ' CE1' ' CB ' ' A' ' 19' ' ' ALA . 31.3 t80 56.89 116.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.417 ' OG1' HG22 ' A' ' 10' ' ' THR . 68.9 p -110.06 99.25 38.52 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -11.13 21.48 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.459 1.768 . . . . 0.0 111.037 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.32 -6.99 53.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.167 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.417 HG22 ' OG1' ' A' ' 7' ' ' THR . 12.2 t -144.33 39.86 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.445 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.479 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -152.77 163.88 38.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 108.304 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.465 ' C ' ' CD1' ' A' ' 13' ' ' TYR . . . -97.43 52.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.479 ' CD1' ' SG ' ' A' ' 11' ' ' CYS . 21.1 m-85 -145.97 143.09 29.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.25 -20.23 16.35 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.486 ' HB2' HG22 ' A' ' 18' ' ' THR . 18.4 m-20 -117.05 147.23 42.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 0.792 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.523 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 92.7 p -80.73 -32.8 35.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -64.81 -49.02 72.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.486 HG22 ' HB2' ' A' ' 15' ' ' ASP . 5.3 t -66.55 -34.92 78.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.673 ' CB ' ' CE1' ' A' ' 6' ' ' PHE . . . -60.27 -60.62 3.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.544 ' CE3' ' CZ ' ' A' ' 38' ' ' PHE . 2.3 t-105 -55.68 -46.85 77.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 107.996 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.91 -60.68 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.368 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 m -58.26 -19.27 32.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.407 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.419 ' SG ' ' C ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -80.0 -41.23 26.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 108.33 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.473 HG21 ' HB3' ' A' ' 49' ' ' SER . 1.5 p -84.57 64.67 8.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.0 p -144.81 156.72 55.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 131.74 14.62 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.474 1.776 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.85 -144.54 5.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -109.35 -25.33 10.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 110.246 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.41 ' CA ' ' HB ' ' A' ' 32' ' ' THR . 63.3 p -124.17 40.66 3.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -56.15 -71.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 108.308 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -65.51 -27.47 68.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.41 ' HB ' ' CA ' ' A' ' 29' ' ' THR . 5.9 m -64.68 -44.27 90.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.39 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.419 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -54.94 -39.35 68.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 108.321 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 82.2 m -62.18 -25.75 67.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 108.332 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 p -94.99 0.75 54.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.403 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.6 OUTLIER -126.27 19.49 7.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.98 -48.61 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 108.327 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 46' ' ' CYS . 69.3 m-85 -87.46 177.58 7.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.15 -104.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.564 HG13 HG23 ' A' ' 41' ' ' VAL . 8.7 p -95.46 -54.21 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.564 HG23 HG13 ' A' ' 40' ' ' VAL . 73.9 t -71.52 -73.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.538 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -33.47 -33.78 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 41' ' ' VAL . 31.5 tt0 -72.87 -57.14 4.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 0.753 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 41' ' ' VAL . 6.7 pt20 -71.97 -14.22 61.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.64 -42.31 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 34.2 t -72.83 -21.24 60.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 108.274 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.489 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -54.55 -49.36 70.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -35.48 81.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.473 ' HB3' HG21 ' A' ' 24' ' ' THR . 1.6 m -84.01 -6.17 59.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -59.08 100.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -90.55 54.81 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 108.281 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.658 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -59.32 -26.53 65.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.578 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 1.9 t70 -90.2 -9.13 49.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.658 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -130.88 -153.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.536 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 29.8 t80 58.0 119.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.522 ' OG1' HG22 ' A' ' 10' ' ' THR . 66.5 p -108.84 100.65 40.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 110.405 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 1.04 8.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.802 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.21 -3.87 56.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.522 HG22 ' OG1' ' A' ' 7' ' ' THR . 8.8 t -144.93 40.16 1.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.373 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.52 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -157.42 162.81 39.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 108.286 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.441 ' C ' ' CD1' ' A' ' 13' ' ' TYR . . . -99.15 53.12 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.524 ' CD2' ' HA ' ' A' ' 19' ' ' ALA . 21.1 m-85 -144.1 140.28 29.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.93 -39.57 5.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 111.057 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.636 ' HB2' HG22 ' A' ' 18' ' ' THR . 0.5 OUTLIER -99.73 149.19 23.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.536 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 60.5 p -83.3 -34.45 25.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.05 -49.95 68.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.636 HG22 ' HB2' ' A' ' 15' ' ' ASP . 3.4 t -67.25 -36.85 82.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.524 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . . . -59.5 -58.81 7.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.547 ' NE1' HG21 ' A' ' 24' ' ' THR . 1.3 t-105 -54.29 -51.71 63.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 107.989 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.627 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -54.79 -51.96 64.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.422 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 92.8 m -61.9 -27.71 69.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.365 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.22 -38.39 35.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 108.325 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.547 HG21 ' NE1' ' A' ' 20' ' ' TRP . 6.1 p -84.23 64.72 8.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.377 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 21' ' ' THR . 17.5 p -140.22 161.78 53.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.386 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 119.24 5.55 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.12 -141.92 3.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.554 1.159 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.05 -46.92 3.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.4 p -111.02 43.53 1.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 1.4 t -67.54 -58.05 5.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 108.254 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.574 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 7.8 t80 -73.47 -8.77 57.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -92.71 -31.08 15.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 30' ' ' CYS . 15.1 p -69.75 -32.53 71.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 108.254 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 73.3 m -55.9 -38.07 69.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 108.275 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.5 t -74.0 -1.26 19.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.952 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 m -125.72 5.36 7.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.52 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -133.97 17.66 3.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 108.322 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 42.5 m-85 -157.09 171.56 20.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 39' ' ' ASP . 1.2 p30 -107.83 -104.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.578 HG13 HG23 ' A' ' 41' ' ' VAL . 8.3 p -94.65 -53.45 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.578 HG23 HG13 ' A' ' 40' ' ' VAL . 58.1 t -71.3 -71.61 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.583 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -33.19 -34.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 41' ' ' VAL . 2.9 tm-20 -74.93 -60.07 2.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -15.92 63.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.49 -48.97 8.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 51.4 t -67.21 -26.05 66.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 108.337 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.574 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 2.5 mt-30 -59.59 -49.77 76.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.65 -46.38 82.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 51' ' ' GLN . 24.7 t -72.51 -16.79 61.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.967 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -44.98 95.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' SER . 4.2 tt0 -112.06 54.23 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 108.268 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.658 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.932 0 N-CA-C 111.033 -0.411 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -65.46 -11.37 42.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.359 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.499 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 1.6 t70 -105.92 -9.22 17.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.658 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -129.21 -152.21 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 107.972 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.678 ' CD2' ' CB ' ' A' ' 16' ' ' SER . 34.5 t80 57.57 120.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.597 ' OG1' HG22 ' A' ' 10' ' ' THR . 69.6 p -108.64 101.45 43.43 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.391 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.5 7.68 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.22 -3.48 50.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.597 HG22 ' OG1' ' A' ' 7' ' ' THR . 8.8 t -143.83 39.68 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 t -150.24 162.63 40.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 108.285 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.25 -43.73 69.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.77 ' CE2' HG21 ' A' ' 22' ' ' THR . 46.9 m-85 -85.74 154.75 21.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.2 -9.96 32.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.678 ' HB2' HG22 ' A' ' 18' ' ' THR . 0.3 OUTLIER -100.17 139.07 36.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.788 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.678 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 1.1 p -82.37 -36.21 27.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -64.44 -54.17 36.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.678 HG22 ' HB2' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -66.74 -35.72 80.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.396 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -61.49 -57.63 11.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.511 ' NE1' HG21 ' A' ' 24' ' ' THR . 1.8 t-105 -54.79 -52.41 62.74 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.533 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -55.19 -46.08 75.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.355 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.77 HG21 ' CE2' ' A' ' 13' ' ' TYR . 95.6 m -70.89 -18.53 62.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -87.51 -35.47 18.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.295 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.511 HG21 ' NE1' ' A' ' 20' ' ' TRP . 1.9 p -84.69 58.29 4.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.424 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 21' ' ' THR . 11.5 p -139.55 161.51 56.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.381 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 123.55 7.96 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.537 1.809 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.33 -153.38 8.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.441 1.088 . . . . 0.0 111.045 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -101.48 -42.99 6.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 0.755 . . . . 0.0 110.326 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.5 p -112.46 45.54 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -68.93 -61.78 1.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.296 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.574 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 4.5 t80 -75.0 -6.53 49.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.8 m -89.81 -33.93 16.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.1 p -70.03 -28.81 65.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.312 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 71.4 m -58.19 -39.77 79.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 108.273 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.2 t -78.0 0.42 24.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.971 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.2 m -128.44 13.87 6.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.598 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -144.02 18.66 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 108.285 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 35.2 m-85 -157.85 173.69 16.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.432 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 19.4 t70 -110.1 -103.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.562 HG13 HG23 ' A' ' 41' ' ' VAL . 9.5 p -94.91 -52.97 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.562 HG23 HG13 ' A' ' 40' ' ' VAL . 60.4 t -71.99 -72.3 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.562 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -32.82 -34.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 41' ' ' VAL . 9.1 tt0 -74.79 -61.28 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 110.338 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -66.73 -15.22 63.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.264 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.01 -45.13 11.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 48.8 t -71.45 -28.14 63.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 108.3 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.561 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 3.1 mt-30 -55.28 -44.99 76.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.3 mtt -71.42 -43.2 67.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' GLN . 3.7 m -80.38 2.75 23.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -63.4 82.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.5 OUTLIER -91.45 53.41 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 108.334 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.674 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -57.76 -35.23 70.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.552 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 2.1 t70 -80.35 -16.86 53.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.674 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -122.08 -154.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 108.002 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 8' ' ' PRO . 17.7 t80 57.57 119.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.7 p -111.85 96.27 32.6 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.5 Cg_endo -74.99 -9.68 20.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.55 -6.49 57.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.0 t -143.51 39.97 1.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.419 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.4 t -145.78 -179.54 6.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 108.313 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.41 -34.04 12.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.576 ' CZ ' HG21 ' A' ' 22' ' ' THR . 30.7 m-85 -84.85 143.0 29.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.04 -12.41 39.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.525 1.14 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.698 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -101.7 142.98 32.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.35 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.432 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 53.9 p -84.66 -38.73 19.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -64.95 -49.8 68.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.636 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -69.64 -34.61 74.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -61.12 -57.83 10.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.404 ' CZ3' ' HZ3' ' A' ' 5' ' ' TRP . 2.9 t-105 -55.01 -52.7 62.34 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -54.25 -58.11 8.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.401 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.576 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 36.0 m -56.84 -17.43 9.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.4 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -90.04 -39.17 13.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 108.284 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.51 59.1 5.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.427 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 21' ' ' THR . 2.1 p -143.34 163.28 38.01 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.415 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 127.64 10.83 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.541 1.811 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.23 -143.95 4.21 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.781 ' HG3' HG23 ' A' ' 29' ' ' THR . 19.2 pt20 -111.16 -42.83 3.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 110.31 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.781 HG23 ' HG3' ' A' ' 28' ' ' GLN . 19.0 p -112.56 42.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -64.1 -60.22 3.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.246 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.563 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 15.1 t80 -75.19 -16.15 60.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.434 ' HB ' ' CA ' ' A' ' 29' ' ' THR . 2.3 m -73.08 -39.82 65.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.458 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.3 p -74.25 -21.34 59.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 108.291 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.6 m -65.81 -11.7 48.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.275 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 t -113.66 0.93 14.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.3 p -114.22 -39.53 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.604 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -93.93 24.65 4.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 108.339 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 19.5 m-85 -157.17 170.58 22.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.432 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 13.2 t0 -111.03 -104.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.574 HG13 HG23 ' A' ' 41' ' ' VAL . 8.2 p -93.73 -53.59 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.574 HG23 HG13 ' A' ' 40' ' ' VAL . 43.7 t -70.72 -66.56 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.593 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -36.34 -30.84 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.534 1.146 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 41' ' ' VAL . 22.4 tt0 -79.06 -61.29 2.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -16.89 63.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.02 -45.31 11.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.589 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 50.5 t -76.26 -24.61 54.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 108.303 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.563 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 4.6 mt-30 -62.3 -53.5 54.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 49' ' ' SER . 13.6 ptm -66.94 -32.03 73.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 51' ' ' GLN . 0.5 OUTLIER -95.81 10.07 38.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 109.998 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -62.4 82.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 49' ' ' SER . 16.6 tt0 -93.75 64.35 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 108.33 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.445 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.931 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 4' ' ' ASP . 7.1 pt-20 -85.26 -45.71 11.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.479 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 5.0 m-20 -74.76 -17.37 60.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.471 ' CD1' ' HB2' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -117.11 -155.43 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 108.012 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.521 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 17.2 t80 57.35 119.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 76.1 p -111.15 96.81 32.23 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.415 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.0 -1.18 10.89 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.541 1.811 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -87.15 -16.05 36.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.4 t -134.56 39.75 3.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.414 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -150.23 154.38 37.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 108.287 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.35 50.47 1.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.596 ' CD1' ' SG ' ' A' ' 37' ' ' CYS . 31.5 m-85 -142.19 130.82 22.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -97.55 23.61 35.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.566 ' HB2' HG22 ' A' ' 18' ' ' THR . 1.1 m-20 -156.28 142.64 18.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 0.767 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.521 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 89.1 p -82.02 -34.3 29.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.89 -50.55 66.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.566 HG22 ' HB2' ' A' ' 15' ' ' ASP . 1.7 t -66.47 -32.46 73.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.423 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.52 -60.7 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.46 ' CE3' ' CZ ' ' A' ' 38' ' ' PHE . 4.3 t-105 -55.51 -48.99 73.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 107.969 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.441 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -54.53 -63.4 1.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 110.383 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.43 HG21 ' HE2' ' A' ' 13' ' ' TYR . 83.7 m -54.65 -19.54 6.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -82.11 -45.14 15.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 108.29 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 p -84.51 69.46 10.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 21' ' ' THR . 3.1 p -147.17 161.07 37.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 121.53 6.64 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.791 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.57 -166.28 32.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -84.04 -33.23 24.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 0.742 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.402 ' HB ' ' HB ' ' A' ' 32' ' ' THR . 62.7 p -114.43 47.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.5 t -68.47 -51.79 39.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 108.329 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.585 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 21.4 t80 -88.72 -17.81 29.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.402 ' HB ' ' HB ' ' A' ' 29' ' ' THR . 30.8 m -72.86 -40.16 65.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.438 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -69.36 -21.88 63.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 108.301 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.7 m -68.5 -8.88 45.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 108.313 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.4 t -115.93 1.79 13.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.992 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 p -107.13 -45.43 4.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.596 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 1.0 OUTLIER -93.94 28.4 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 108.278 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 28.0 m-85 -158.4 168.51 26.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.429 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 18.5 t70 -110.95 -104.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.621 HG13 HG23 ' A' ' 41' ' ' VAL . 9.0 p -93.81 -54.62 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.621 HG23 HG13 ' A' ' 40' ' ' VAL . 47.6 t -71.53 -63.16 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.591 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -36.36 -32.51 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 111.052 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' VAL . 1.7 tm-20 -80.01 -55.04 5.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.6 -20.05 66.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.14 -43.89 12.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 47.8 t -74.55 -24.41 58.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 108.276 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.585 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 4.2 mt-30 -58.58 -49.77 76.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -40.7 95.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.4 t -74.99 -22.49 58.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -49.64 98.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -102.08 54.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 108.32 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.683 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 110.953 -0.441 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.15 -42.79 91.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.565 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.7 OUTLIER -74.21 -15.25 61.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.683 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -123.22 -154.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 108.019 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.504 ' CD2' ' CB ' ' A' ' 16' ' ' SER . 24.3 t80 57.69 122.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.058 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.4 p -111.67 99.19 43.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.408 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.05 0.65 8.67 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.455 1.766 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -88.83 -14.24 37.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.6 t -135.62 43.85 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.365 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.37 164.13 38.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 108.314 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.62 -33.19 41.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.238 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.565 ' CE1' HG21 ' A' ' 22' ' ' THR . 14.2 m-85 -84.86 143.69 28.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -98.15 -27.76 8.58 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.103 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.676 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 5.7 m-20 -88.46 142.89 27.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.504 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 28.5 p -82.5 -33.77 28.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.98 -48.21 59.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.574 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -71.72 -33.54 68.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -61.26 -56.76 16.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.499 ' NE1' HG21 ' A' ' 24' ' ' THR . 2.2 t-105 -57.19 -50.59 72.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.013 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.533 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -55.67 -51.15 68.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.404 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.565 HG21 ' CE1' ' A' ' 13' ' ' TYR . 87.1 m -63.82 -19.56 65.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.383 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.77 -35.47 19.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.325 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.499 HG21 ' NE1' ' A' ' 20' ' ' TRP . 1.9 p -84.32 60.65 6.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.405 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 21' ' ' THR . 54.1 p -138.7 160.32 63.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.446 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 122.76 7.39 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.54 1.811 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.21 -144.69 4.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -109.91 -45.96 3.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 110.264 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.5 p -109.45 41.52 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.392 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 t -65.57 -58.17 6.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 108.307 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.585 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 2.4 t80 -76.86 -4.21 42.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -93.56 -34.01 13.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.373 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.9 p -67.12 -29.56 69.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 108.317 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 72.6 m -57.79 -39.18 76.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 108.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.5 p -76.61 0.34 20.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 m -127.38 9.99 6.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.599 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -140.1 17.59 2.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 108.306 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 39.6 m-85 -158.03 173.34 16.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.434 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 38.1 t0 -110.01 -104.03 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 3.7 p -94.99 -50.72 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 43' ' ' GLU . 21.3 t -72.03 -74.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.593 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -33.83 -33.05 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 41' ' ' VAL . 18.6 tt0 -76.92 -60.65 2.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -65.97 -18.15 65.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.39 -48.99 8.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 52.2 t -65.86 -28.41 68.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 108.337 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.57 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 2.8 mt-30 -56.93 -49.14 76.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.8 mtm -64.78 -48.39 74.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 51' ' ' GLN . 11.3 t -67.9 -21.08 65.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.973 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -45.8 95.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' SER . 13.7 tt0 -112.4 53.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 108.34 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.643 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 110.994 -0.425 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.73 -34.1 72.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.421 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 1.9 t70 -78.9 -30.51 44.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.643 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -102.94 -158.95 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 107.992 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 23.8 t80 57.71 120.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.443 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 65.1 p -109.61 99.9 39.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.346 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.5 Cg_endo -74.99 0.97 8.25 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -90.4 -12.92 36.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.443 ' CG2' ' OG1' ' A' ' 7' ' ' THR . 3.2 t -138.02 45.41 2.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.47 148.82 23.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 108.294 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.91 -32.93 74.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.486 ' CZ ' HG21 ' A' ' 22' ' ' THR . 15.6 m-85 -89.92 131.58 35.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -97.13 10.19 65.57 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.508 1.13 . . . . 0.0 111.055 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.593 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -119.59 140.72 50.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.747 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.564 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -79.91 -32.51 40.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.021 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -64.95 -60.84 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.558 HG22 ' HB2' ' A' ' 15' ' ' ASP . 1.3 t -61.48 -30.24 70.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.378 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.593 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -65.6 -62.14 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.241 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.687 ' NE1' HG21 ' A' ' 24' ' ' THR . 4.7 t-105 -54.85 -47.1 74.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 107.985 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 25' ' ' THR . 1.0 OUTLIER -54.83 -64.18 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.486 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 10.1 m -54.65 -21.11 9.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.423 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.428 ' SG ' ' C ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -83.22 -42.72 16.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 108.293 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.687 HG21 ' NE1' ' A' ' 20' ' ' TRP . 14.7 p -84.63 68.26 10.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.367 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 21' ' ' THR . 2.4 p -148.86 158.93 38.82 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 123.52 7.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.27 -163.49 26.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -91.33 -40.56 11.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 0.735 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.1 p -110.53 44.93 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 t -69.84 -56.27 7.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 108.248 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.588 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 53.3 t80 -72.79 -24.09 60.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.1 m -70.53 -34.57 72.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.423 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.428 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -74.85 -22.71 58.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 108.306 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.7 m -68.84 -8.47 43.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 108.285 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.3 t -116.24 1.61 13.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.99 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.5 t -105.75 -47.39 3.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.535 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 1.3 m -93.56 30.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 108.33 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.59 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 23.4 m-85 -158.3 169.25 24.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.429 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 17.8 t70 -112.89 -105.1 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.656 HG13 HG23 ' A' ' 41' ' ' VAL . 9.8 p -93.96 -55.02 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.656 HG23 HG13 ' A' ' 40' ' ' VAL . 59.6 t -71.88 -57.57 7.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.59 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -41.01 -31.85 0.51 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' GLN . 4.0 tm-20 -81.4 -54.74 5.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.776 . . . . 0.0 110.28 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.89 -19.55 65.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.4 -44.87 11.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.623 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 42.3 t -76.83 -21.38 55.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 108.285 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.588 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 1.0 OUTLIER -64.34 -47.46 79.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -41.02 73.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.6 t -73.98 -30.74 62.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 46' ' ' CYS . . . -45.49 105.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -103.95 53.25 0.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.351 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 108.309 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.645 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.044 -0.406 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -57.32 -30.52 64.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.509 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.9 OUTLIER -84.79 -21.65 29.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.645 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -117.79 -153.33 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 107.977 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 8' ' ' PRO . 19.9 t80 58.95 124.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 49.3 p -112.58 95.05 30.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.401 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.06 0.29 9.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.463 1.77 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.88 -5.31 55.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.6 t -145.14 45.39 1.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 110.431 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.448 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -160.73 164.74 31.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 108.254 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.433 ' C ' ' CD1' ' A' ' 13' ' ' TYR . . . -96.56 52.11 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.542 ' CD2' ' HA ' ' A' ' 19' ' ' ALA . 29.6 m-85 -144.96 138.75 27.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -96.01 -36.25 5.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.464 ' HB2' ' CG2' ' A' ' 18' ' ' THR . 41.3 m-20 -99.39 150.96 21.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.8 p -85.08 -38.4 19.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -65.57 -40.87 93.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -72.13 -39.98 68.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 110.37 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.542 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . . . -57.52 -57.08 14.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.656 ' NE1' HG21 ' A' ' 24' ' ' THR . 2.3 t-105 -56.78 -45.77 81.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 108.015 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.634 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -57.28 -59.8 4.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.394 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.2 m -56.52 -19.42 15.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.59 -38.73 18.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 108.326 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.656 HG21 ' NE1' ' A' ' 20' ' ' TRP . 19.5 p -84.95 47.34 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 21' ' ' THR . 10.7 p -136.1 160.76 65.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.376 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 119.73 5.75 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.446 1.761 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -160.48 -138.88 2.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.88 -31.39 8.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.2 p -126.97 55.16 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.371 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.3 t -70.38 -32.7 70.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 108.303 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.563 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 48.5 t80 -109.04 -19.27 13.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.6 m -81.62 -25.29 35.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.446 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.9 p -73.55 -42.08 62.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 108.31 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 80.4 m -59.16 -17.69 29.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 108.325 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.2 t -89.02 0.65 56.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.0 m -144.24 17.74 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.027 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.52 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -135.11 15.7 3.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 108.31 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 67.0 m-85 -156.4 175.45 13.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -102.29 -85.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.6 p -130.47 -42.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.533 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 3.2 t -73.92 -51.25 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.562 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -62.94 -36.28 93.21 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.437 ' N ' ' HB3' ' A' ' 38' ' ' PHE . 28.9 tt0 -73.53 -45.52 53.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -74.94 -25.91 59.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 41' ' ' VAL . . . -83.25 -37.09 23.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 48.8 t -74.11 -28.28 61.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 108.335 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.563 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 16.6 mt-30 -54.85 -52.79 61.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 mmm -66.86 -29.54 69.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.9 -36.33 59.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.32 109.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.81 53.32 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.1 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 108.279 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.66 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -58.87 -31.65 68.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.552 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.6 OUTLIER -84.23 -14.39 50.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.66 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -124.71 -154.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.675 ' CD2' ' CB ' ' A' ' 16' ' ' SER . 22.9 t80 58.07 121.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.403 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 77.5 p -110.79 99.63 42.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.382 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.04 1.12 8.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.523 1.801 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -89.69 -17.34 28.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.403 ' CG2' ' OG1' ' A' ' 7' ' ' THR . 1.7 t -131.43 39.77 3.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.395 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 t -150.09 149.35 30.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.315 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.01 -10.97 44.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.782 ' OH ' HG21 ' A' ' 22' ' ' THR . 50.3 m-85 -108.97 153.51 23.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.21 -24.69 6.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.606 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 2.6 m-20 -89.2 145.96 25.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.675 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -88.47 -31.9 18.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -70.49 -54.47 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.429 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -64.63 -41.51 96.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.606 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -55.97 -56.88 15.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.535 ' NE1' HG21 ' A' ' 24' ' ' THR . 1.9 t-105 -54.69 -46.43 74.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 108.024 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 25' ' ' THR . 0.8 OUTLIER -54.31 -56.11 21.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.375 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.782 HG21 ' OH ' ' A' ' 13' ' ' TYR . 2.9 m -61.87 -29.46 70.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -72.25 -39.84 68.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 108.28 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.535 HG21 ' NE1' ' A' ' 20' ' ' TRP . 4.3 p -84.59 72.65 10.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.418 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 21' ' ' THR . 71.3 p -150.0 157.9 37.34 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 120.75 6.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.02 -152.36 7.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.2 -44.07 5.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 0.74 . . . . 0.0 110.341 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.3 p -111.18 40.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.368 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.1 t -63.9 -58.07 7.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.262 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -65.92 -34.24 77.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.8 m -64.84 -34.23 77.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.412 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -63.63 -39.12 93.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 108.32 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.452 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 77.3 m -59.23 -36.19 75.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 108.304 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.9 t -77.95 0.79 22.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -129.63 10.56 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.603 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -139.96 18.26 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 108.3 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 37.7 m-85 -157.84 172.27 18.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.431 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 40.3 t0 -108.66 -104.35 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 41' ' ' VAL . 7.0 p -94.66 -51.76 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.564 ' O ' ' N ' ' A' ' 45' ' ' ALA . 26.1 t -71.51 -74.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.56 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -32.61 -34.65 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 41' ' ' VAL . 9.3 tt0 -74.3 -57.11 4.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' VAL . 6.4 pt20 -71.71 -15.89 62.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.564 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.6 -45.16 12.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.492 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 46.5 t -71.83 -28.04 63.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 108.321 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.59 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -54.68 -49.13 71.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.9 mmt -64.97 -49.89 68.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' GLN . 1.9 m -67.12 -17.56 64.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -48.3 94.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' SER . 12.2 tt0 -110.27 54.48 0.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 108.321 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.634 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -26.33 60.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.515 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 3.0 t70 -88.12 -17.93 29.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.634 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -123.02 -153.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.5 ' CD2' ' CB ' ' A' ' 16' ' ' SER . 19.6 t80 58.63 126.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.7 p -116.52 98.12 51.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.372 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.4 Cg_endo -74.98 0.67 8.61 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.477 1.777 . . . . 0.0 111.035 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.29 -3.34 53.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.3 t -144.96 44.69 1.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 110.418 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.74 167.92 28.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.299 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.92 -29.82 35.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.366 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.434 ' CZ ' HG21 ' A' ' 22' ' ' THR . 26.8 m-85 -84.96 142.54 29.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.06 -21.18 12.15 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.692 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -96.04 148.24 22.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.5 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 9.7 p -87.94 -40.9 13.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.02 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.87 -48.14 75.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.617 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -69.75 -36.13 75.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.382 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -59.87 -57.41 13.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -56.7 -49.18 75.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 108.001 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.85 -56.82 15.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.434 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 96.1 m -60.89 -18.44 56.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.88 -38.22 23.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 108.278 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -84.29 66.41 9.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.9 p -153.24 161.84 28.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.425 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 121.54 6.65 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.46 1.768 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.68 -154.55 7.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -95.79 -35.6 11.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.786 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.412 ' HB ' ' HB ' ' A' ' 32' ' ' THR . 69.1 p -123.68 54.89 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.385 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.6 t -70.54 -53.73 14.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 108.338 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.569 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 8.4 t80 -89.03 -6.05 57.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 111.03 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.412 ' HB ' ' HB ' ' A' ' 29' ' ' THR . 5.3 m -91.05 -28.5 17.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.382 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.4 p -67.98 -42.98 79.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 108.33 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.445 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 67.8 m -56.02 -30.15 61.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 108.299 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 p -80.46 0.4 33.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.027 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.08 17.48 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.977 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.52 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -141.3 17.13 2.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 108.275 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 46.5 m-85 -156.96 169.85 23.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -98.34 -82.89 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.532 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 1.6 p -129.99 -50.3 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.572 ' HB ' ' CD1' ' A' ' 5' ' ' TRP . 5.2 t -72.77 -38.71 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.348 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.434 ' HA2' ' CE3' ' A' ' 5' ' ' TRP . . . -66.18 -37.1 92.68 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.525 1.14 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.435 ' N ' ' HB3' ' A' ' 38' ' ' PHE . 15.4 tt0 -84.36 -44.21 13.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 0.809 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.532 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 4.8 mm100 -65.22 -29.39 70.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 41' ' ' VAL . . . -84.93 -36.45 21.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 50' ' ' ALA . 43.9 t -74.88 -28.82 60.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 108.261 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.569 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 2.0 mt-30 -57.7 -47.1 83.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.28 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.3 mtm -69.41 -48.27 61.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.7 t -64.94 -27.95 69.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.977 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -50.88 106.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.45 52.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 108.301 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.655 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -40.04 79.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.42 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.5 OUTLIER -73.64 -33.53 64.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.655 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -100.06 -160.37 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 107.988 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 19.2 t80 58.29 125.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 44.6 p -108.89 100.69 40.93 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.372 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 1.22 8.0 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.779 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.77 -9.89 36.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.4 t -145.17 41.52 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.357 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.6 t -134.85 160.4 38.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 108.305 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.58 -47.03 70.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.533 ' CE2' HG21 ' A' ' 22' ' ' THR . 17.9 m-85 -98.46 162.48 13.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.59 0.4 42.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.613 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -102.13 135.9 42.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 0.729 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.567 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 2.7 p -79.86 -34.54 39.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -65.11 -53.67 41.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.55 -35.09 78.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.389 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -59.92 -57.56 12.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -56.97 -48.55 78.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 108.013 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.681 ' O ' HG23 ' A' ' 25' ' ' THR . 0.8 OUTLIER -54.44 -60.49 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.332 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.533 HG21 ' CE2' ' A' ' 13' ' ' TYR . 46.9 m -56.53 -24.6 47.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -78.39 -41.19 33.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 108.312 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 49' ' ' SER . 1.8 p -84.58 58.91 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.681 HG23 ' O ' ' A' ' 21' ' ' THR . 70.9 p -137.11 153.59 75.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 110.421 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 127.59 10.77 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.482 1.78 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.12 -143.2 3.91 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -109.11 -26.59 10.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.409 ' HB ' ' HB ' ' A' ' 32' ' ' THR . 35.4 p -121.95 40.89 3.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 t -57.66 -68.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -68.01 -26.82 66.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.409 ' HB ' ' HB ' ' A' ' 29' ' ' THR . 8.7 m -64.27 -31.54 72.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.403 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.425 ' O ' ' SG ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -80.75 -23.88 39.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.278 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.4 m -68.94 -8.77 47.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 108.293 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 p -117.0 1.82 12.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.04 -49.2 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.037 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.587 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 75.3 m -93.54 31.35 1.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 108.313 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.589 ' CE2' ' HB2' ' A' ' 46' ' ' CYS . 14.9 m-85 -157.81 168.56 26.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.426 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 21.7 t70 -113.09 -104.67 0.4 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.591 HG13 HG23 ' A' ' 41' ' ' VAL . 9.2 p -95.43 -53.68 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.591 HG23 HG13 ' A' ' 40' ' ' VAL . 21.4 t -71.73 -53.49 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.571 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -47.03 -29.96 4.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.52 1.138 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' GLN . 5.2 tt0 -81.94 -59.18 2.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.4 ' HG2' ' HA ' ' A' ' 41' ' ' VAL . 1.9 pt20 -63.43 -18.47 63.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.9 -45.08 11.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.589 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 42.4 t -75.02 -28.18 60.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 108.274 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 43' ' ' GLU . 1.4 mt-30 -54.46 -45.18 73.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.4 mtt -78.35 -0.58 29.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' GLN . 1.4 m -124.78 7.2 8.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.085 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -62.79 82.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.1 OUTLIER -84.9 67.63 10.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 108.277 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.647 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.85 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.26 -33.49 65.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.42 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.5 OUTLIER -77.58 -28.27 51.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.647 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -112.73 -153.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.03 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 37.8 t80 57.97 121.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.9 p -112.84 95.64 34.4 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.05 1.17 8.06 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.32 -3.88 49.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 t -145.21 40.78 1.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.44 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -146.04 -178.17 5.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.276 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.27 -35.74 12.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.523 ' CD2' HG23 ' A' ' 18' ' ' THR . 4.0 m-30 -87.55 145.59 26.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.13 -4.13 54.02 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.625 ' HB2' HG22 ' A' ' 18' ' ' THR . 27.4 m-20 -102.95 151.05 22.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.581 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 87.9 p -97.4 -34.07 11.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.028 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -72.18 -42.58 65.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.625 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -75.67 -36.21 60.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.415 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -60.39 -55.0 38.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.591 ' NE1' HG21 ' A' ' 24' ' ' THR . 1.7 t-105 -57.15 -51.11 70.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 107.978 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 25' ' ' THR . 0.8 OUTLIER -54.9 -58.47 7.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.51 HG21 ' CE2' ' A' ' 13' ' ' TYR . 13.8 m -57.05 -18.1 12.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.09 -38.31 13.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.31 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.591 HG21 ' NE1' ' A' ' 20' ' ' TRP . 1.4 p -84.28 56.33 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.083 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 21' ' ' THR . 2.6 p -141.84 158.27 62.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.391 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 127.33 10.58 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.529 1.805 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -169.23 -147.14 5.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 29' ' ' THR . 5.8 pt20 -104.64 -35.04 7.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.414 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 23.7 p -121.79 51.64 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.385 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -66.96 -71.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 108.316 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -69.21 -17.34 63.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 111.028 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.4 m -67.19 -30.61 70.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.3 p -90.46 -16.0 29.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 108.323 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.9 m -65.75 -10.46 37.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 108.296 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.5 p -116.01 1.48 13.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.2 m -108.33 -43.91 4.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -93.16 29.8 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 108.274 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.498 ' HB3' ' C ' ' A' ' 42' ' ' GLY . 48.6 m-85 -157.61 174.69 14.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.42 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 33.2 t0 -116.41 -104.48 0.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.651 HG12 ' N ' ' A' ' 41' ' ' VAL . 0.9 OUTLIER -93.76 -66.41 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.651 ' N ' HG12 ' A' ' 40' ' ' VAL . 60.7 t -68.57 -44.0 83.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.498 ' C ' ' HB3' ' A' ' 38' ' ' PHE . . . -48.49 -32.92 10.94 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -85.12 -50.13 7.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.437 ' CG ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -63.5 -20.97 66.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.318 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.58 -39.18 16.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 50' ' ' ALA . 34.2 t -75.95 -31.48 59.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.328 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.92 -47.93 73.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 27.4 mmt -67.65 -38.79 84.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 51' ' ' GLN . 3.3 m -88.91 10.49 21.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.974 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -66.93 72.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' SER . 2.2 mp0 -84.97 66.48 9.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.24 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 108.334 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.689 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 111.03 -0.412 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -56.13 -38.86 71.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.506 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 2.4 t70 -71.99 -23.88 61.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.689 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -114.79 -154.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.575 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 24.3 t80 58.05 124.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.1 p -109.19 100.56 41.36 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -5.08 16.34 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.531 1.806 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.81 -11.96 49.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 t -144.66 43.17 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.4 t -135.16 161.02 36.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 108.306 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.62 -45.98 67.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.738 ' CE2' HG21 ' A' ' 22' ' ' THR . 46.1 m-85 -98.34 159.12 15.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.54 6.06 55.05 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.694 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 2.5 m-20 -110.01 141.16 43.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.575 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 50.0 p -85.14 -34.51 22.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.013 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.55 -53.24 36.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.689 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.7 OUTLIER -67.95 -33.48 74.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -61.54 -57.74 10.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.595 ' NE1' HG21 ' A' ' 24' ' ' THR . 3.4 t-105 -56.53 -51.68 67.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 108.022 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.83 -60.59 3.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.738 HG21 ' CE2' ' A' ' 13' ' ' TYR . 73.3 m -54.79 -18.56 4.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.402 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.03 -39.22 14.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.595 HG21 ' NE1' ' A' ' 20' ' ' TRP . 21.5 p -84.06 62.05 6.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.408 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.403 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 7.8 p -151.89 155.59 33.78 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.37 4.88 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.451 1.764 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.82 -130.98 1.19 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -112.08 -30.42 7.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.1 p -127.68 57.44 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 34.5 t -70.95 -39.65 72.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 108.296 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -107.61 -23.27 12.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.6 m -65.75 -29.42 69.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.0 p -87.51 -19.49 27.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 108.305 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.8 m -65.65 -11.33 43.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 108.309 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.2 p -115.29 1.97 13.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.17 -42.08 4.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.641 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 60.8 m -95.06 26.75 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 108.258 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.641 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 18.7 m-85 -157.32 167.91 28.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 29.7 t0 -109.58 -104.54 0.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 41' ' ' VAL . 9.7 p -94.6 -50.56 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.559 HG11 ' NE1' ' A' ' 5' ' ' TRP . 14.0 t -69.77 -70.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.628 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -35.15 -32.0 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.55 1.156 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 41' ' ' VAL . 1.8 tt0 -73.44 -63.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -68.59 -16.26 63.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.39 -43.09 13.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 47.5 t -74.88 -33.98 62.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 108.262 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 43' ' ' GLU . 1.2 mp0 -54.12 -38.24 65.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.5 mmm -76.24 -23.47 54.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.02 -27.35 19.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -45.97 101.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -117.99 53.17 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 25' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 108.269 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.641 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 4' ' ' ASP . 7.1 pt-20 -59.48 -38.61 81.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.337 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 3' ' ' GLU . 1.2 m-20 -79.63 -32.29 41.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.641 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -102.88 -154.66 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 108.018 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 8' ' ' PRO . 19.9 t80 57.98 120.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.9 p -112.83 94.3 28.4 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.449 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.1 Cg_endo -74.99 -11.58 21.49 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.758 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.34 -7.13 53.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.7 t -144.87 39.86 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.424 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -149.95 163.23 38.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 108.257 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.508 ' C ' ' CD1' ' A' ' 13' ' ' TYR . . . -97.3 52.46 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.601 ' CD1' ' SG ' ' A' ' 37' ' ' CYS . 15.0 m-85 -146.81 142.96 28.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -97.77 -29.63 7.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.428 ' HB2' ' CG2' ' A' ' 18' ' ' THR . 14.8 m-20 -104.49 152.49 22.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.505 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 79.5 p -87.42 -36.85 17.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -64.85 -40.6 95.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.428 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 1.5 t -71.19 -41.38 70.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.42 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.436 ' CB ' ' CE1' ' A' ' 6' ' ' PHE . . . -56.26 -57.15 13.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -55.23 -50.11 70.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 108.01 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -54.7 -54.6 39.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.407 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.6 m -62.48 -18.25 61.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.385 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -82.89 -39.84 21.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 108.3 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.438 HG21 ' HB3' ' A' ' 49' ' ' SER . 7.3 p -84.82 59.15 5.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 21' ' ' THR . 29.1 p -133.66 157.86 76.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.35 11.41 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.83 -157.75 17.84 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -97.75 -14.45 20.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.9 p -132.34 45.5 2.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.424 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -64.7 -62.75 1.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.29 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.572 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 29.0 t80 -72.39 -22.81 61.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.0 m -68.98 -40.96 78.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.386 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.434 ' O ' ' SG ' ' A' ' 23' ' ' CYS . 1.3 t -68.33 -25.87 65.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 108.266 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.3 m -67.05 -9.57 40.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 108.339 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.9 t -116.0 1.54 13.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.036 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.13 -44.32 4.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.601 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -93.69 28.62 2.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 108.334 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.475 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 54.2 m-85 -158.0 173.21 17.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.424 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 18.1 t70 -112.86 -106.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.639 HG13 HG23 ' A' ' 41' ' ' VAL . 9.8 p -96.36 -55.43 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.639 HG23 HG13 ' A' ' 40' ' ' VAL . 59.8 t -71.56 -52.8 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.475 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -46.59 -30.87 4.82 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -82.39 -53.28 6.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -22.45 66.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.16 -40.11 15.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 50' ' ' ALA . 38.5 t -74.3 -28.87 61.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 108.278 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.572 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 8.1 mt-30 -54.35 -40.93 68.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.4 mmt -69.82 -37.0 76.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.438 ' HB3' HG21 ' A' ' 24' ' ' THR . 0.4 OUTLIER -78.41 -25.26 46.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.958 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -45.41 101.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -100.79 53.57 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 108.296 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.658 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -60.15 -28.86 68.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.547 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.6 OUTLIER -88.7 -12.14 43.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.263 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.658 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -126.34 -151.9 0.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 108.011 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.6 ' CZ ' ' O ' ' A' ' 15' ' ' ASP . 13.3 t80 59.12 128.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.9 p -110.07 99.95 41.58 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.6 Cg_endo -74.96 1.3 7.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.78 . . . . 0.0 111.039 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -93.75 -12.7 28.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 36' ' ' SER . 4.2 t -144.01 43.79 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 35.4 t -134.78 167.25 21.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 108.311 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.44 -34.7 78.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.546 ' CD2' HG23 ' A' ' 18' ' ' THR . 59.3 m-85 -121.44 173.5 7.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.51 -5.19 52.12 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.136 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.6 ' O ' ' CZ ' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -99.95 147.01 26.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.573 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -82.27 -27.94 32.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -71.9 -65.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.546 HG23 ' CD2' ' A' ' 13' ' ' TYR . 1.1 t -54.86 -35.64 64.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.375 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.533 ' CB ' ' CE1' ' A' ' 6' ' ' PHE . . . -65.32 -59.64 3.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.555 ' NE1' HG21 ' A' ' 24' ' ' THR . 2.2 t-105 -54.51 -41.99 70.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 108.025 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.705 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -58.57 -50.61 73.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.417 ' O ' ' OG1' ' A' ' 25' ' ' THR . 2.7 m -67.82 -19.56 65.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.352 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -82.46 -41.21 20.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.298 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.555 HG21 ' NE1' ' A' ' 20' ' ' TRP . 4.0 p -84.8 55.63 3.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.343 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 21' ' ' THR . 7.8 p -141.13 158.46 64.44 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 127.49 10.78 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.431 1.753 . . . . 0.0 111.042 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.05 -145.01 4.38 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.535 ' HG3' HG23 ' A' ' 29' ' ' THR . 10.8 pt20 -105.26 -33.75 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.535 HG23 ' HG3' ' A' ' 28' ' ' GLN . 2.2 p -123.15 51.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.416 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 t -65.21 -67.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 108.289 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.483 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 32.7 t80 -65.56 -26.53 67.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.1 m -72.87 -41.52 64.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.403 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.418 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -54.98 -38.62 68.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 108.319 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.443 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 66.3 m -57.35 -36.44 71.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 108.29 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.9 t -77.76 0.87 21.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -132.52 12.85 4.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.566 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 10.5 m -141.17 15.56 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.286 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 45.3 m-85 -158.13 171.24 20.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.428 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 39.6 t0 -106.09 -104.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.484 HG13 ' N ' ' A' ' 41' ' ' VAL . 7.8 p -95.79 -49.96 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' A' ' 45' ' ' ALA . 24.4 t -72.11 -75.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.583 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -32.85 -34.7 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 41' ' ' VAL . 14.7 tt0 -74.53 -59.58 2.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -67.71 -18.06 64.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.73 -46.63 10.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.487 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 42.2 t -65.78 -24.61 66.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.331 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.564 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 5.2 mt-30 -55.63 -49.14 73.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.68 -43.48 93.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 51' ' ' GLN . 1.0 OUTLIER -76.35 -8.9 58.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -59.11 86.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' SER . 8.0 tm0? -100.49 56.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 108.278 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.633 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.996 -0.424 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.24 -29.79 66.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.21 -31.51 33.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.633 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -106.04 -152.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.601 ' CZ ' ' O ' ' A' ' 15' ' ' ASP . 22.0 t80 58.45 124.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.0 p -113.72 98.92 48.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.418 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.2 Cg_endo -75.04 0.82 8.46 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -89.76 -12.0 40.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.3 t -138.28 47.8 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 36' ' ' SER . 0.7 OUTLIER -159.53 153.72 23.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 0.0 108.307 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.41 -31.57 71.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -84.79 150.3 25.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.35 -21.64 7.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.544 1.153 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.663 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -91.79 161.43 14.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.516 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 7.3 p -98.19 -40.42 8.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -64.89 -48.96 72.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.588 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -70.39 -37.04 74.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -60.34 -56.46 21.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.491 ' NE1' HG21 ' A' ' 24' ' ' THR . 3.0 t-105 -56.27 -49.61 73.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 108.004 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -55.06 -48.63 73.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.8 m -68.59 -21.43 64.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.43 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.458 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -81.43 -39.76 24.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 108.286 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.491 HG21 ' NE1' ' A' ' 20' ' ' TRP . 12.5 p -84.96 66.41 9.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 21' ' ' THR . 3.3 p -145.17 156.5 54.41 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 130.06 12.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -178.57 -148.87 7.8 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.562 1.164 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -101.43 -27.94 12.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 110.27 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.7 p -122.26 52.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.4 t -73.62 -49.79 24.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 108.336 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.582 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 23.0 t80 -86.93 -21.86 26.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.4 m -75.57 -39.69 57.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -44.95 75.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.267 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.458 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 62.0 m -58.36 -32.4 68.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.0 m -78.65 1.01 24.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 109.981 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.403 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 6.4 p -136.95 14.46 3.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.508 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -140.27 16.26 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.306 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.568 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 51.7 m-85 -157.03 166.35 33.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.76 -83.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -129.75 -45.09 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.529 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 13.1 t -74.33 -46.03 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.568 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -59.76 -40.15 96.25 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.499 1.124 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.469 ' N ' ' HB3' ' A' ' 38' ' ' PHE . 13.6 tt0 -75.04 -50.12 17.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 0.788 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 1.8 pp0? -65.11 -27.55 68.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 41' ' ' VAL . . . -84.23 -34.25 23.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 50' ' ' ALA . 43.5 t -74.61 -29.39 61.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 108.304 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.582 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 12.4 mt-30 -54.36 -46.99 73.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.245 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.9 mtt -65.31 -33.04 75.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -79.43 -28.93 41.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -46.03 98.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 49' ' ' SER . 13.5 tt0 -108.01 53.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 108.303 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.681 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 111.054 -0.402 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -58.18 -43.75 87.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.433 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 9.4 t0 -70.79 -32.14 69.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.681 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -100.36 -162.65 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 22.4 t80 57.87 118.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.496 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 44.4 p -110.21 99.64 40.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.2 Cg_endo -75.02 -8.57 20.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -78.2 -20.1 52.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.496 ' CG2' ' OG1' ' A' ' 7' ' ' THR . 3.1 t -128.59 41.42 3.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.44 173.87 12.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.26 -35.24 20.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.552 ' CE2' HG21 ' A' ' 22' ' ' THR . 34.9 m-85 -85.61 154.95 21.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -111.85 -9.29 21.03 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.517 1.135 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.563 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -105.09 145.81 30.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 0.736 . . . . 0.0 109.314 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.581 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 1.6 p -85.73 -32.77 21.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -65.11 -56.1 14.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.525 HG22 ' HB2' ' A' ' 15' ' ' ASP . 1.2 t -65.37 -35.06 79.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -62.98 -58.74 6.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.4 ' O ' ' OG1' ' A' ' 24' ' ' THR . 3.2 t-105 -54.6 -49.28 70.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 107.995 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.668 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -54.04 -63.24 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.467 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.552 HG21 ' CE2' ' A' ' 13' ' ' TYR . 19.7 m -54.64 -18.93 5.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.423 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.429 ' SG ' ' C ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -84.39 -41.87 16.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 108.285 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 20' ' ' TRP . 1.0 OUTLIER -86.03 56.53 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.392 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 21' ' ' THR . 11.3 p -136.76 154.14 76.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 125.99 9.65 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.515 1.797 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.94 -137.02 2.15 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -112.58 -26.94 8.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.3 p -126.02 51.6 1.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.406 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 t -66.6 -67.77 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 108.31 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.578 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 33.4 t80 -67.59 -25.15 65.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.949 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -68.1 -42.34 80.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.429 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -68.78 -23.82 64.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 108.307 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 35.1 m -70.26 -7.28 41.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 108.308 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.8 t -116.14 1.41 13.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.3 -47.31 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.991 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.521 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 1.1 m -93.82 30.77 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 108.258 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.546 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 19.0 m-85 -158.21 168.16 27.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.408 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 31.0 t0 -113.49 -104.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.085 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.652 HG13 HG23 ' A' ' 41' ' ' VAL . 10.1 p -95.32 -55.59 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.652 HG23 HG13 ' A' ' 40' ' ' VAL . 7.2 t -73.11 -48.7 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.546 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -46.53 -38.7 9.64 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 47' ' ' GLN . 3.0 tt0 -85.1 -41.48 15.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 0.775 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 4.0 mm-40 -64.74 -27.7 69.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.22 -44.43 12.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 50' ' ' ALA . 15.6 t -67.85 -33.77 75.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 108.282 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.578 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 2.9 mt-30 -54.25 -38.78 66.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.9 mtt -74.63 -34.49 62.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 m -92.41 7.3 43.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -62.09 87.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -97.27 64.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.124 . . . . 0.0 108.279 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.636 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.914 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -40.44 74.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.343 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -77.37 -40.89 42.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.636 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -92.34 -154.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 108.01 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.6 ' CE1' ' CB ' ' A' ' 19' ' ' ALA . 27.6 t80 58.04 117.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.1 p -113.25 93.8 27.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.416 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.55 ' HG3' ' CE2' ' A' ' 6' ' ' PHE . 18.4 Cg_endo -74.94 -13.88 21.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.65 -10.07 59.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -141.07 41.1 1.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.343 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.48 172.36 13.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 108.327 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.8 -37.99 23.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.826 ' CZ ' HG21 ' A' ' 22' ' ' THR . 28.5 m-85 -87.03 151.31 23.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -106.45 -13.25 23.07 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.67 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.1 m-20 -95.01 142.95 26.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.571 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 60.4 p -82.61 -38.53 23.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.988 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -65.34 -51.44 60.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.591 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -67.16 -35.38 79.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.358 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.67 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -59.89 -59.08 5.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.535 ' NE1' HG21 ' A' ' 24' ' ' THR . 2.5 t-105 -56.47 -48.77 76.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 108.021 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -55.01 -56.84 15.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.826 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 95.7 m -60.19 -18.04 45.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -85.79 -38.19 18.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 108.321 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.535 HG21 ' NE1' ' A' ' 20' ' ' TRP . 11.0 p -84.6 66.22 9.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 21' ' ' THR . 10.6 p -145.63 156.2 52.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.436 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 123.0 7.54 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.483 1.781 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.5 -158.62 15.88 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.539 1.15 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -87.18 -31.35 20.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 0.739 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.416 ' HB ' ' HB ' ' A' ' 32' ' ' THR . 57.1 p -117.85 50.87 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.437 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.7 t -67.27 -53.79 26.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 108.289 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.574 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 25.2 t80 -85.85 -23.58 27.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.95 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.416 ' HB ' ' HB ' ' A' ' 29' ' ' THR . 21.4 m -69.51 -43.02 73.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.44 ' O ' ' SG ' ' A' ' 23' ' ' CYS . 1.1 t -64.95 -26.27 68.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 108.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.7 m -68.07 -8.31 36.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.28 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.7 t -115.78 1.48 13.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -105.85 -45.82 4.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.027 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 6' ' ' PHE . 0.8 OUTLIER -94.04 30.67 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.288 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.463 ' HB3' ' C ' ' A' ' 42' ' ' GLY . 48.9 m-85 -158.28 173.68 16.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.41 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 45.3 t0 -115.24 -105.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.673 HG13 HG23 ' A' ' 41' ' ' VAL . 10.5 p -97.15 -55.82 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.673 HG23 HG13 ' A' ' 40' ' ' VAL . 26.4 t -71.93 -46.06 61.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.463 ' C ' ' HB3' ' A' ' 38' ' ' PHE . . . -53.2 -32.5 43.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 47' ' ' GLN . 4.1 tm-20 -83.44 -50.29 8.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -64.38 -24.29 67.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.598 1.186 . . . . 0.0 110.307 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.16 -38.93 17.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 50' ' ' ALA . 23.6 t -76.63 -27.02 55.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.179 . . . . 0.0 108.307 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.574 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 4.5 mt-30 -54.71 -59.89 4.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.2 mtm -64.82 -9.33 19.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 111.039 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.1 p -97.91 -30.71 12.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -48.86 105.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.97 53.88 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 108.26 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.64 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo -74.98 49.76 2.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.543 1.812 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -84.93 -40.91 16.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -81.59 -15.5 54.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.64 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -115.96 -156.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 107.97 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.695 ' CD2' ' CB ' ' A' ' 16' ' ' SER . 23.5 t80 58.02 125.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.5 p -116.6 98.38 51.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.362 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.02 0.1 9.33 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.51 1.795 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -89.52 -9.87 48.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.0 t -141.08 46.2 1.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.43 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 36' ' ' SER . 1.2 t -157.92 157.02 32.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.286 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.84 -41.5 95.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -84.79 134.21 34.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -96.11 6.44 66.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.584 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -119.11 139.73 51.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 0.75 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.695 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -77.39 -30.31 53.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -68.99 -66.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.51 HG22 ' HB2' ' A' ' 15' ' ' ASP . 1.2 t -55.22 -35.91 65.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -61.44 -62.16 2.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -54.72 -50.55 68.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 107.989 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.538 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -54.37 -58.59 6.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.402 ' O ' ' OG1' ' A' ' 25' ' ' THR . 42.3 m -59.53 -17.98 36.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.44 -37.94 22.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 108.315 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.0 p -83.82 51.46 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 21' ' ' THR . 24.7 p -136.93 161.17 63.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.389 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 122.71 7.36 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.548 1.815 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.31 -157.84 11.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -95.23 -38.9 10.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 0.775 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.1 p -116.24 51.04 0.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.463 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.4 t -72.57 -46.31 54.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 108.306 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.522 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 19.3 t80 -92.19 -11.5 35.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -86.68 -29.99 22.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.9 p -65.65 -41.03 93.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 108.329 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.441 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 43.1 m -55.45 -33.91 64.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 108.299 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.6 t -78.49 0.58 25.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.401 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -138.26 16.86 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.013 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.55 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -142.11 17.06 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 108.284 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.575 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 47.3 m-85 -157.47 174.44 15.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 39' ' ' ASP . 3.3 t0 -104.8 -80.27 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 41' ' ' VAL . 10.0 p -130.57 -47.51 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.533 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 12.3 t -74.5 -46.47 42.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.575 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -59.58 -37.51 92.32 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.418 1.074 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.436 ' N ' ' HB3' ' A' ' 38' ' ' PHE . 16.1 tt0 -78.86 -49.41 12.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -65.68 -26.2 67.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.253 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 41' ' ' VAL . . . -84.47 -33.41 23.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 41.0 t -81.93 -22.07 36.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 108.28 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.522 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 19.1 mt-30 -59.4 -57.96 10.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.0 mtt -69.53 -38.71 77.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.7 t -64.97 -49.08 71.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -48.2 114.33 0.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.07 53.62 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 108.236 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.6 m120 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.674 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.2 Cg_endo -75.01 1.67 7.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -58.28 -35.04 71.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.54 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.5 OUTLIER -81.06 -16.49 53.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.674 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -121.66 -155.36 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.526 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 21.2 t80 56.87 117.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.532 ' OG1' HG22 ' A' ' 10' ' ' THR . 50.4 p -110.81 98.07 36.33 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.4 Cg_endo -74.94 -3.6 14.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.49 -4.04 59.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.532 HG22 ' OG1' ' A' ' 7' ' ' THR . 9.1 t -145.07 39.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 110.431 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -148.47 -179.85 7.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.246 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.74 -25.46 14.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 109.238 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.628 ' CZ ' HG21 ' A' ' 22' ' ' THR . 15.2 m-30 -84.78 141.35 30.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.17 -16.22 28.31 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.714 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -104.3 142.99 33.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 0.742 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.526 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 82.7 p -83.96 -39.05 20.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.951 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -64.64 -51.85 60.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.644 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -67.56 -33.8 75.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.419 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.714 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -60.78 -58.84 6.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.557 ' NE1' HG21 ' A' ' 24' ' ' THR . 2.0 t-105 -55.04 -52.96 61.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 107.987 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.652 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -55.9 -37.8 69.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.368 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.628 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 15.4 m -75.31 -18.69 59.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.48 -35.84 14.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.557 HG21 ' NE1' ' A' ' 20' ' ' TRP . 1.9 p -84.57 56.32 3.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 21' ' ' THR . 6.3 p -137.57 158.47 71.86 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 122.59 7.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.64 -144.45 4.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.75 -42.77 3.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.7 p -109.28 41.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.351 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.74 -61.72 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 108.312 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.57 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 11.2 t80 -73.58 -13.94 61.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.4 m -75.83 -40.82 54.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.7 p -74.75 -17.54 60.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 108.288 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.8 m -65.97 -11.09 45.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 108.289 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.1 t -114.59 1.15 14.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.92 -41.9 4.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.003 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.597 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -93.9 25.88 3.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 108.295 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 22.1 m-85 -157.82 171.49 20.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.431 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 12.2 t0 -112.67 -104.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.599 HG13 HG23 ' A' ' 41' ' ' VAL . 7.5 p -93.79 -54.02 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.599 HG23 HG13 ' A' ' 40' ' ' VAL . 74.2 t -71.48 -65.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.59 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -36.1 -31.47 0.04 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 41' ' ' VAL . 1.5 tm-20 -79.72 -59.78 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.742 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.09 -18.89 64.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.82 -41.65 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.564 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 42.1 t -74.18 -29.76 61.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 108.251 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.57 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 3.1 mt-30 -55.45 -52.32 64.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.432 ' HG3' ' N ' ' A' ' 49' ' ' SER . 18.5 ptm -65.68 -32.25 73.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.432 ' N ' ' HG3' ' A' ' 48' ' ' MET . 0.8 OUTLIER -91.27 4.36 52.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -63.04 82.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -93.02 67.12 4.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.247 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 108.299 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.651 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo -74.97 0.47 8.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.778 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -57.67 -29.59 64.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.511 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 9.3 t0 -86.18 -16.63 37.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.651 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -123.09 -154.21 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.011 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.673 ' CE1' ' CB ' ' A' ' 19' ' ' ALA . 31.3 t80 56.89 116.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.417 ' OG1' HG22 ' A' ' 10' ' ' THR . 68.9 p -110.06 99.25 38.52 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -11.13 21.48 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.459 1.768 . . . . 0.0 111.037 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.32 -6.99 53.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.167 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.417 HG22 ' OG1' ' A' ' 7' ' ' THR . 12.2 t -144.33 39.86 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.445 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.479 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -152.77 163.88 38.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 108.304 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.465 ' C ' ' CD1' ' A' ' 13' ' ' TYR . . . -97.43 52.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.479 ' CD1' ' SG ' ' A' ' 11' ' ' CYS . 21.1 m-85 -145.97 143.09 29.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.25 -20.23 16.35 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.486 ' HB2' HG22 ' A' ' 18' ' ' THR . 18.4 m-20 -117.05 147.23 42.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 0.792 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.523 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 92.7 p -80.73 -32.8 35.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -64.81 -49.02 72.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.486 HG22 ' HB2' ' A' ' 15' ' ' ASP . 5.3 t -66.55 -34.92 78.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.673 ' CB ' ' CE1' ' A' ' 6' ' ' PHE . . . -60.27 -60.62 3.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.544 ' CE3' ' CZ ' ' A' ' 38' ' ' PHE . 2.3 t-105 -55.68 -46.85 77.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 107.996 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.91 -60.68 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.368 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 m -58.26 -19.27 32.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.407 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.419 ' SG ' ' C ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -80.0 -41.23 26.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 108.33 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.473 HG21 ' HB3' ' A' ' 49' ' ' SER . 1.5 p -84.57 64.67 8.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.0 p -144.81 156.72 55.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 131.74 14.62 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.474 1.776 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.85 -144.54 5.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -109.35 -25.33 10.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 110.246 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.41 ' CA ' ' HB ' ' A' ' 32' ' ' THR . 63.3 p -124.17 40.66 3.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -56.15 -71.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 108.308 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -65.51 -27.47 68.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.41 ' HB ' ' CA ' ' A' ' 29' ' ' THR . 5.9 m -64.68 -44.27 90.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.39 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.419 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -54.94 -39.35 68.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 108.321 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 82.2 m -62.18 -25.75 67.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 108.332 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 p -94.99 0.75 54.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.403 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.6 OUTLIER -126.27 19.49 7.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.98 -48.61 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 108.327 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 46' ' ' CYS . 69.3 m-85 -87.46 177.58 7.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.15 -104.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.564 HG13 HG23 ' A' ' 41' ' ' VAL . 8.7 p -95.46 -54.21 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.564 HG23 HG13 ' A' ' 40' ' ' VAL . 73.9 t -71.52 -73.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.538 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -33.47 -33.78 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 41' ' ' VAL . 31.5 tt0 -72.87 -57.14 4.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 0.753 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 41' ' ' VAL . 6.7 pt20 -71.97 -14.22 61.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.64 -42.31 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 34.2 t -72.83 -21.24 60.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 108.274 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.489 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -54.55 -49.36 70.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -35.48 81.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.473 ' HB3' HG21 ' A' ' 24' ' ' THR . 1.6 m -84.01 -6.17 59.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -59.08 100.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -90.55 54.81 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 108.281 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.658 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.2 Cg_endo -75.04 1.51 7.68 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -59.32 -26.53 65.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.578 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 1.9 t70 -90.2 -9.13 49.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.658 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -130.88 -153.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.536 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 29.8 t80 58.0 119.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.522 ' OG1' HG22 ' A' ' 10' ' ' THR . 66.5 p -108.84 100.65 40.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 110.405 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 1.04 8.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.802 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.21 -3.87 56.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.522 HG22 ' OG1' ' A' ' 7' ' ' THR . 8.8 t -144.93 40.16 1.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.373 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.52 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -157.42 162.81 39.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 108.286 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.441 ' C ' ' CD1' ' A' ' 13' ' ' TYR . . . -99.15 53.12 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.524 ' CD2' ' HA ' ' A' ' 19' ' ' ALA . 21.1 m-85 -144.1 140.28 29.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.93 -39.57 5.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 111.057 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.636 ' HB2' HG22 ' A' ' 18' ' ' THR . 0.5 OUTLIER -99.73 149.19 23.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.536 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 60.5 p -83.3 -34.45 25.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.05 -49.95 68.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.636 HG22 ' HB2' ' A' ' 15' ' ' ASP . 3.4 t -67.25 -36.85 82.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.524 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . . . -59.5 -58.81 7.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.547 ' NE1' HG21 ' A' ' 24' ' ' THR . 1.3 t-105 -54.29 -51.71 63.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 107.989 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.627 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -54.79 -51.96 64.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.422 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 92.8 m -61.9 -27.71 69.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.365 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.22 -38.39 35.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 108.325 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.547 HG21 ' NE1' ' A' ' 20' ' ' TRP . 6.1 p -84.23 64.72 8.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.377 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 21' ' ' THR . 17.5 p -140.22 161.78 53.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.386 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 119.24 5.55 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.12 -141.92 3.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.554 1.159 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.05 -46.92 3.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.4 p -111.02 43.53 1.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 1.4 t -67.54 -58.05 5.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 108.254 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.574 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 7.8 t80 -73.47 -8.77 57.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -92.71 -31.08 15.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 30' ' ' CYS . 15.1 p -69.75 -32.53 71.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 108.254 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 73.3 m -55.9 -38.07 69.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 108.275 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.5 t -74.0 -1.26 19.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.952 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 m -125.72 5.36 7.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.52 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -133.97 17.66 3.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 108.322 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 42.5 m-85 -157.09 171.56 20.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 39' ' ' ASP . 1.2 p30 -107.83 -104.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.578 HG13 HG23 ' A' ' 41' ' ' VAL . 8.3 p -94.65 -53.45 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.578 HG23 HG13 ' A' ' 40' ' ' VAL . 58.1 t -71.3 -71.61 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.583 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -33.19 -34.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 41' ' ' VAL . 2.9 tm-20 -74.93 -60.07 2.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -15.92 63.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.49 -48.97 8.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 51.4 t -67.21 -26.05 66.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 108.337 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.574 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 2.5 mt-30 -59.59 -49.77 76.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.65 -46.38 82.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 51' ' ' GLN . 24.7 t -72.51 -16.79 61.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.967 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -44.98 95.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' SER . 4.2 tt0 -112.06 54.23 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 108.268 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.658 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo -75.03 1.34 7.86 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.455 1.766 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -65.46 -11.37 42.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.359 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.499 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 1.6 t70 -105.92 -9.22 17.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.658 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -129.21 -152.21 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 107.972 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.678 ' CD2' ' CB ' ' A' ' 16' ' ' SER . 34.5 t80 57.57 120.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.597 ' OG1' HG22 ' A' ' 10' ' ' THR . 69.6 p -108.64 101.45 43.43 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.391 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.5 7.68 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.22 -3.48 50.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.597 HG22 ' OG1' ' A' ' 7' ' ' THR . 8.8 t -143.83 39.68 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 t -150.24 162.63 40.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 108.285 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.25 -43.73 69.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.77 ' CE2' HG21 ' A' ' 22' ' ' THR . 46.9 m-85 -85.74 154.75 21.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.2 -9.96 32.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.678 ' HB2' HG22 ' A' ' 18' ' ' THR . 0.3 OUTLIER -100.17 139.07 36.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.788 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.678 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 1.1 p -82.37 -36.21 27.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -64.44 -54.17 36.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.678 HG22 ' HB2' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -66.74 -35.72 80.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.396 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -61.49 -57.63 11.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.511 ' NE1' HG21 ' A' ' 24' ' ' THR . 1.8 t-105 -54.79 -52.41 62.74 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.533 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -55.19 -46.08 75.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.355 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.77 HG21 ' CE2' ' A' ' 13' ' ' TYR . 95.6 m -70.89 -18.53 62.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -87.51 -35.47 18.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.295 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.511 HG21 ' NE1' ' A' ' 20' ' ' TRP . 1.9 p -84.69 58.29 4.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.424 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 21' ' ' THR . 11.5 p -139.55 161.51 56.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.381 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 123.55 7.96 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.537 1.809 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.33 -153.38 8.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.441 1.088 . . . . 0.0 111.045 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -101.48 -42.99 6.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 0.755 . . . . 0.0 110.326 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.5 p -112.46 45.54 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -68.93 -61.78 1.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.296 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.574 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 4.5 t80 -75.0 -6.53 49.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.8 m -89.81 -33.93 16.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.1 p -70.03 -28.81 65.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.312 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 71.4 m -58.19 -39.77 79.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 108.273 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.2 t -78.0 0.42 24.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.971 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.2 m -128.44 13.87 6.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.598 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -144.02 18.66 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 108.285 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 35.2 m-85 -157.85 173.69 16.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 19.4 t70 -110.1 -103.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.562 HG13 HG23 ' A' ' 41' ' ' VAL . 9.5 p -94.91 -52.97 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.562 HG23 HG13 ' A' ' 40' ' ' VAL . 60.4 t -71.99 -72.3 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.562 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -32.82 -34.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 41' ' ' VAL . 9.1 tt0 -74.79 -61.28 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 110.338 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -66.73 -15.22 63.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.264 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.01 -45.13 11.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 48.8 t -71.45 -28.14 63.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 108.3 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.561 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 3.1 mt-30 -55.28 -44.99 76.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.3 mtt -71.42 -43.2 67.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' GLN . 3.7 m -80.38 2.75 23.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -63.4 82.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.5 OUTLIER -91.45 53.41 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 108.334 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.674 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo -74.94 1.61 7.52 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -57.76 -35.23 70.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.552 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 2.1 t70 -80.35 -16.86 53.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.674 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -122.08 -154.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 108.002 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 8' ' ' PRO . 17.7 t80 57.57 119.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.7 p -111.85 96.27 32.6 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.5 Cg_endo -74.99 -9.68 20.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.55 -6.49 57.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.0 t -143.51 39.97 1.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.419 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.4 t -145.78 -179.54 6.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 108.313 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.41 -34.04 12.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.576 ' CZ ' HG21 ' A' ' 22' ' ' THR . 30.7 m-85 -84.85 143.0 29.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.04 -12.41 39.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.525 1.14 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.698 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -101.7 142.98 32.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.35 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.432 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 53.9 p -84.66 -38.73 19.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -64.95 -49.8 68.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.636 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -69.64 -34.61 74.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -61.12 -57.83 10.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.404 ' CZ3' ' HZ3' ' A' ' 5' ' ' TRP . 2.9 t-105 -55.01 -52.7 62.34 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -54.25 -58.11 8.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.401 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.576 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 36.0 m -56.84 -17.43 9.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.4 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -90.04 -39.17 13.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 108.284 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.51 59.1 5.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.427 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 21' ' ' THR . 2.1 p -143.34 163.28 38.01 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.415 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 127.64 10.83 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.541 1.811 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.23 -143.95 4.21 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.781 ' HG3' HG23 ' A' ' 29' ' ' THR . 19.2 pt20 -111.16 -42.83 3.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 110.31 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.781 HG23 ' HG3' ' A' ' 28' ' ' GLN . 19.0 p -112.56 42.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -64.1 -60.22 3.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.246 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.563 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 15.1 t80 -75.19 -16.15 60.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.434 ' HB ' ' CA ' ' A' ' 29' ' ' THR . 2.3 m -73.08 -39.82 65.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.458 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.3 p -74.25 -21.34 59.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 108.291 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.6 m -65.81 -11.7 48.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.275 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 t -113.66 0.93 14.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.3 p -114.22 -39.53 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.604 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -93.93 24.65 4.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 108.339 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 19.5 m-85 -157.17 170.58 22.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 13.2 t0 -111.03 -104.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.574 HG13 HG23 ' A' ' 41' ' ' VAL . 8.2 p -93.73 -53.59 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.574 HG23 HG13 ' A' ' 40' ' ' VAL . 43.7 t -70.72 -66.56 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.593 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -36.34 -30.84 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.534 1.146 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 41' ' ' VAL . 22.4 tt0 -79.06 -61.29 2.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -16.89 63.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.02 -45.31 11.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.589 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 50.5 t -76.26 -24.61 54.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 108.303 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.563 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 4.6 mt-30 -62.3 -53.5 54.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 49' ' ' SER . 13.6 ptm -66.94 -32.03 73.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 51' ' ' GLN . 0.5 OUTLIER -95.81 10.07 38.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 109.998 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -62.4 82.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 49' ' ' SER . 16.6 tt0 -93.75 64.35 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 108.33 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.445 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.1 Cg_endo -75.06 50.07 2.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.788 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 4' ' ' ASP . 7.1 pt-20 -85.26 -45.71 11.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.479 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 5.0 m-20 -74.76 -17.37 60.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.471 ' CD1' ' HB2' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -117.11 -155.43 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 108.012 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.521 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 17.2 t80 57.35 119.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 76.1 p -111.15 96.81 32.23 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.415 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.0 -1.18 10.89 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.541 1.811 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -87.15 -16.05 36.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.4 t -134.56 39.75 3.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.414 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -150.23 154.38 37.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 108.287 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.35 50.47 1.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.596 ' CD1' ' SG ' ' A' ' 37' ' ' CYS . 31.5 m-85 -142.19 130.82 22.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -97.55 23.61 35.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.566 ' HB2' HG22 ' A' ' 18' ' ' THR . 1.1 m-20 -156.28 142.64 18.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 0.767 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.521 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 89.1 p -82.02 -34.3 29.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.89 -50.55 66.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.566 HG22 ' HB2' ' A' ' 15' ' ' ASP . 1.7 t -66.47 -32.46 73.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.423 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.52 -60.7 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.46 ' CE3' ' CZ ' ' A' ' 38' ' ' PHE . 4.3 t-105 -55.51 -48.99 73.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 107.969 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.441 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -54.53 -63.4 1.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 110.383 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.43 HG21 ' HE2' ' A' ' 13' ' ' TYR . 83.7 m -54.65 -19.54 6.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -82.11 -45.14 15.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 108.29 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 p -84.51 69.46 10.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 21' ' ' THR . 3.1 p -147.17 161.07 37.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 121.53 6.64 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.791 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.57 -166.28 32.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -84.04 -33.23 24.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 0.742 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.402 ' HB ' ' HB ' ' A' ' 32' ' ' THR . 62.7 p -114.43 47.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.5 t -68.47 -51.79 39.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 108.329 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.585 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 21.4 t80 -88.72 -17.81 29.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.402 ' HB ' ' HB ' ' A' ' 29' ' ' THR . 30.8 m -72.86 -40.16 65.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.438 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -69.36 -21.88 63.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 108.301 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.7 m -68.5 -8.88 45.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 108.313 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.4 t -115.93 1.79 13.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.992 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 p -107.13 -45.43 4.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.596 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 1.0 OUTLIER -93.94 28.4 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 108.278 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 28.0 m-85 -158.4 168.51 26.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.429 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 18.5 t70 -110.95 -104.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.621 HG13 HG23 ' A' ' 41' ' ' VAL . 9.0 p -93.81 -54.62 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.621 HG23 HG13 ' A' ' 40' ' ' VAL . 47.6 t -71.53 -63.16 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.591 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -36.36 -32.51 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 111.052 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' VAL . 1.7 tm-20 -80.01 -55.04 5.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.6 -20.05 66.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.14 -43.89 12.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 47.8 t -74.55 -24.41 58.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 108.276 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.585 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 4.2 mt-30 -58.58 -49.77 76.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -40.7 95.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.4 t -74.99 -22.49 58.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -49.64 98.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -102.08 54.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 108.32 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.522 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.683 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo -75.01 5.76 3.8 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.451 1.764 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.15 -42.79 91.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.565 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.7 OUTLIER -74.21 -15.25 61.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.683 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -123.22 -154.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 108.019 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.504 ' CD2' ' CB ' ' A' ' 16' ' ' SER . 24.3 t80 57.69 122.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.058 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.4 p -111.67 99.19 43.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.408 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.05 0.65 8.67 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.455 1.766 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -88.83 -14.24 37.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.6 t -135.62 43.85 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.365 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.37 164.13 38.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 108.314 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.62 -33.19 41.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.238 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.565 ' CE1' HG21 ' A' ' 22' ' ' THR . 14.2 m-85 -84.86 143.69 28.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -98.15 -27.76 8.58 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.103 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.676 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 5.7 m-20 -88.46 142.89 27.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.504 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 28.5 p -82.5 -33.77 28.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.98 -48.21 59.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.574 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -71.72 -33.54 68.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -61.26 -56.76 16.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.499 ' NE1' HG21 ' A' ' 24' ' ' THR . 2.2 t-105 -57.19 -50.59 72.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.013 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.533 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -55.67 -51.15 68.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.404 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.565 HG21 ' CE1' ' A' ' 13' ' ' TYR . 87.1 m -63.82 -19.56 65.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.383 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.77 -35.47 19.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.325 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.499 HG21 ' NE1' ' A' ' 20' ' ' TRP . 1.9 p -84.32 60.65 6.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.405 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 21' ' ' THR . 54.1 p -138.7 160.32 63.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.446 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 122.76 7.39 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.54 1.811 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.21 -144.69 4.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -109.91 -45.96 3.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 110.264 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.5 p -109.45 41.52 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.392 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 t -65.57 -58.17 6.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 108.307 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.585 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 2.4 t80 -76.86 -4.21 42.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -93.56 -34.01 13.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.373 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.9 p -67.12 -29.56 69.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 108.317 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 72.6 m -57.79 -39.18 76.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 108.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.5 p -76.61 0.34 20.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 m -127.38 9.99 6.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.599 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -140.1 17.59 2.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 108.306 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 39.6 m-85 -158.03 173.34 16.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.434 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 38.1 t0 -110.01 -104.03 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 3.7 p -94.99 -50.72 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 43' ' ' GLU . 21.3 t -72.03 -74.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.593 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -33.83 -33.05 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 41' ' ' VAL . 18.6 tt0 -76.92 -60.65 2.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -65.97 -18.15 65.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.39 -48.99 8.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 52.2 t -65.86 -28.41 68.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 108.337 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.57 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 2.8 mt-30 -56.93 -49.14 76.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.8 mtm -64.78 -48.39 74.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 51' ' ' GLN . 11.3 t -67.9 -21.08 65.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.973 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -45.8 95.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' SER . 13.7 tt0 -112.4 53.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 108.34 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.52 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.643 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo -75.03 0.47 8.88 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.5 1.79 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.73 -34.1 72.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.421 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 1.9 t70 -78.9 -30.51 44.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.643 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -102.94 -158.95 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 107.992 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 23.8 t80 57.71 120.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.443 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 65.1 p -109.61 99.9 39.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.346 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.5 Cg_endo -74.99 0.97 8.25 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -90.4 -12.92 36.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.443 ' CG2' ' OG1' ' A' ' 7' ' ' THR . 3.2 t -138.02 45.41 2.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.47 148.82 23.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 108.294 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.91 -32.93 74.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.486 ' CZ ' HG21 ' A' ' 22' ' ' THR . 15.6 m-85 -89.92 131.58 35.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -97.13 10.19 65.57 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.508 1.13 . . . . 0.0 111.055 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.593 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -119.59 140.72 50.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.747 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.564 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -79.91 -32.51 40.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.021 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -64.95 -60.84 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.558 HG22 ' HB2' ' A' ' 15' ' ' ASP . 1.3 t -61.48 -30.24 70.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.378 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.593 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -65.6 -62.14 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.241 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.687 ' NE1' HG21 ' A' ' 24' ' ' THR . 4.7 t-105 -54.85 -47.1 74.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 107.985 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 25' ' ' THR . 1.0 OUTLIER -54.83 -64.18 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.486 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 10.1 m -54.65 -21.11 9.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.423 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.428 ' SG ' ' C ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -83.22 -42.72 16.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 108.293 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.687 HG21 ' NE1' ' A' ' 20' ' ' TRP . 14.7 p -84.63 68.26 10.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.367 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 21' ' ' THR . 2.4 p -148.86 158.93 38.82 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 123.52 7.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.27 -163.49 26.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -91.33 -40.56 11.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 0.735 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.1 p -110.53 44.93 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 t -69.84 -56.27 7.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 108.248 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.588 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 53.3 t80 -72.79 -24.09 60.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.1 m -70.53 -34.57 72.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.423 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.428 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -74.85 -22.71 58.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 108.306 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.7 m -68.84 -8.47 43.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 108.285 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.3 t -116.24 1.61 13.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.99 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.5 t -105.75 -47.39 3.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.535 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 1.3 m -93.56 30.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 108.33 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.59 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 23.4 m-85 -158.3 169.25 24.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.429 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 17.8 t70 -112.89 -105.1 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.656 HG13 HG23 ' A' ' 41' ' ' VAL . 9.8 p -93.96 -55.02 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.656 HG23 HG13 ' A' ' 40' ' ' VAL . 59.6 t -71.88 -57.57 7.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.59 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -41.01 -31.85 0.51 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' GLN . 4.0 tm-20 -81.4 -54.74 5.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.776 . . . . 0.0 110.28 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.89 -19.55 65.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.4 -44.87 11.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.623 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 42.3 t -76.83 -21.38 55.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 108.285 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.588 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 1.0 OUTLIER -64.34 -47.46 79.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -41.02 73.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.6 t -73.98 -30.74 62.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 46' ' ' CYS . . . -45.49 105.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -103.95 53.25 0.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.351 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 108.309 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.645 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo -74.98 0.15 9.25 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 111.044 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -57.32 -30.52 64.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.509 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.9 OUTLIER -84.79 -21.65 29.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.645 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -117.79 -153.33 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 107.977 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 8' ' ' PRO . 19.9 t80 58.95 124.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 49.3 p -112.58 95.05 30.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.401 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.06 0.29 9.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.463 1.77 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.88 -5.31 55.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.6 t -145.14 45.39 1.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 110.431 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -160.73 164.74 31.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 108.254 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.433 ' C ' ' CD1' ' A' ' 13' ' ' TYR . . . -96.56 52.11 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.542 ' CD2' ' HA ' ' A' ' 19' ' ' ALA . 29.6 m-85 -144.96 138.75 27.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -96.01 -36.25 5.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.464 ' HB2' ' CG2' ' A' ' 18' ' ' THR . 41.3 m-20 -99.39 150.96 21.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.8 p -85.08 -38.4 19.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -65.57 -40.87 93.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -72.13 -39.98 68.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 110.37 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.542 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . . . -57.52 -57.08 14.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.656 ' NE1' HG21 ' A' ' 24' ' ' THR . 2.3 t-105 -56.78 -45.77 81.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 108.015 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.634 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -57.28 -59.8 4.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.394 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.2 m -56.52 -19.42 15.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.59 -38.73 18.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 108.326 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.656 HG21 ' NE1' ' A' ' 20' ' ' TRP . 19.5 p -84.95 47.34 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 21' ' ' THR . 10.7 p -136.1 160.76 65.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.376 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 119.73 5.75 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.446 1.761 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -160.48 -138.88 2.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.88 -31.39 8.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.2 p -126.97 55.16 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.371 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.3 t -70.38 -32.7 70.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 108.303 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.563 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 48.5 t80 -109.04 -19.27 13.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.6 m -81.62 -25.29 35.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.446 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.9 p -73.55 -42.08 62.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 108.31 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 80.4 m -59.16 -17.69 29.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 108.325 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.2 t -89.02 0.65 56.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.0 m -144.24 17.74 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.027 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.52 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -135.11 15.7 3.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 108.31 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 67.0 m-85 -156.4 175.45 13.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -102.29 -85.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.6 p -130.47 -42.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.533 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 3.2 t -73.92 -51.25 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.562 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -62.94 -36.28 93.21 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.437 ' N ' ' HB3' ' A' ' 38' ' ' PHE . 28.9 tt0 -73.53 -45.52 53.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -74.94 -25.91 59.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 41' ' ' VAL . . . -83.25 -37.09 23.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 48.8 t -74.11 -28.28 61.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 108.335 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.563 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 16.6 mt-30 -54.85 -52.79 61.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 mmm -66.86 -29.54 69.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.9 -36.33 59.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.32 109.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.81 53.32 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.1 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 108.279 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.518 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.66 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo -74.99 1.23 7.96 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -58.87 -31.65 68.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.552 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.6 OUTLIER -84.23 -14.39 50.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.66 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -124.71 -154.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.675 ' CD2' ' CB ' ' A' ' 16' ' ' SER . 22.9 t80 58.07 121.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.403 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 77.5 p -110.79 99.63 42.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.382 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.04 1.12 8.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.523 1.801 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -89.69 -17.34 28.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.403 ' CG2' ' OG1' ' A' ' 7' ' ' THR . 1.7 t -131.43 39.77 3.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.395 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 t -150.09 149.35 30.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.315 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.01 -10.97 44.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.782 ' OH ' HG21 ' A' ' 22' ' ' THR . 50.3 m-85 -108.97 153.51 23.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.21 -24.69 6.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.606 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 2.6 m-20 -89.2 145.96 25.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.675 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -88.47 -31.9 18.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -70.49 -54.47 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.429 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -64.63 -41.51 96.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.606 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -55.97 -56.88 15.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.535 ' NE1' HG21 ' A' ' 24' ' ' THR . 1.9 t-105 -54.69 -46.43 74.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 108.024 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 25' ' ' THR . 0.8 OUTLIER -54.31 -56.11 21.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.375 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.782 HG21 ' OH ' ' A' ' 13' ' ' TYR . 2.9 m -61.87 -29.46 70.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -72.25 -39.84 68.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 108.28 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.535 HG21 ' NE1' ' A' ' 20' ' ' TRP . 4.3 p -84.59 72.65 10.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.418 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 21' ' ' THR . 71.3 p -150.0 157.9 37.34 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 120.75 6.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.02 -152.36 7.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.2 -44.07 5.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 0.74 . . . . 0.0 110.341 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.3 p -111.18 40.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.368 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.1 t -63.9 -58.07 7.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.262 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -65.92 -34.24 77.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.8 m -64.84 -34.23 77.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.412 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -63.63 -39.12 93.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 108.32 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.452 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 77.3 m -59.23 -36.19 75.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 108.304 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.9 t -77.95 0.79 22.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -129.63 10.56 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.603 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -139.96 18.26 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 108.3 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 37.7 m-85 -157.84 172.27 18.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.431 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 40.3 t0 -108.66 -104.35 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 41' ' ' VAL . 7.0 p -94.66 -51.76 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.564 ' O ' ' N ' ' A' ' 45' ' ' ALA . 26.1 t -71.51 -74.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.56 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -32.61 -34.65 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 41' ' ' VAL . 9.3 tt0 -74.3 -57.11 4.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' VAL . 6.4 pt20 -71.71 -15.89 62.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.564 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.6 -45.16 12.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.492 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 46.5 t -71.83 -28.04 63.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 108.321 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.59 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -54.68 -49.13 71.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.9 mmt -64.97 -49.89 68.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' GLN . 1.9 m -67.12 -17.56 64.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -48.3 94.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' SER . 12.2 tt0 -110.27 54.48 0.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 108.321 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.4 t30 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.634 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo -75.03 0.03 9.42 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -26.33 60.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.515 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 3.0 t70 -88.12 -17.93 29.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.634 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -123.02 -153.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.5 ' CD2' ' CB ' ' A' ' 16' ' ' SER . 19.6 t80 58.63 126.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.7 p -116.52 98.12 51.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.372 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.4 Cg_endo -74.98 0.67 8.61 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.477 1.777 . . . . 0.0 111.035 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.29 -3.34 53.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.3 t -144.96 44.69 1.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 110.418 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.74 167.92 28.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.299 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.92 -29.82 35.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.366 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.434 ' CZ ' HG21 ' A' ' 22' ' ' THR . 26.8 m-85 -84.96 142.54 29.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.06 -21.18 12.15 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.692 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -96.04 148.24 22.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.5 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 9.7 p -87.94 -40.9 13.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.02 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.87 -48.14 75.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.617 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -69.75 -36.13 75.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.382 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -59.87 -57.41 13.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -56.7 -49.18 75.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 108.001 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.85 -56.82 15.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.434 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 96.1 m -60.89 -18.44 56.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.88 -38.22 23.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 108.278 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -84.29 66.41 9.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.9 p -153.24 161.84 28.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.425 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 121.54 6.65 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.46 1.768 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.68 -154.55 7.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -95.79 -35.6 11.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.786 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.412 ' HB ' ' HB ' ' A' ' 32' ' ' THR . 69.1 p -123.68 54.89 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.385 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.6 t -70.54 -53.73 14.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 108.338 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.569 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 8.4 t80 -89.03 -6.05 57.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 111.03 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.412 ' HB ' ' HB ' ' A' ' 29' ' ' THR . 5.3 m -91.05 -28.5 17.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.382 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.4 p -67.98 -42.98 79.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 108.33 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.445 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 67.8 m -56.02 -30.15 61.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 108.299 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 p -80.46 0.4 33.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.027 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.08 17.48 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.977 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.52 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -141.3 17.13 2.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 108.275 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 46.5 m-85 -156.96 169.85 23.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -98.34 -82.89 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.532 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 1.6 p -129.99 -50.3 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.572 ' HB ' ' CD1' ' A' ' 5' ' ' TRP . 5.2 t -72.77 -38.71 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.348 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.434 ' HA2' ' CE3' ' A' ' 5' ' ' TRP . . . -66.18 -37.1 92.68 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.525 1.14 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.435 ' N ' ' HB3' ' A' ' 38' ' ' PHE . 15.4 tt0 -84.36 -44.21 13.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 0.809 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.532 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 4.8 mm100 -65.22 -29.39 70.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 41' ' ' VAL . . . -84.93 -36.45 21.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 50' ' ' ALA . 43.9 t -74.88 -28.82 60.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 108.261 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.569 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 2.0 mt-30 -57.7 -47.1 83.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.28 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.3 mtm -69.41 -48.27 61.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.7 t -64.94 -27.95 69.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.977 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -50.88 106.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.45 52.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 108.301 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.4 m120 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.655 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.2 Cg_endo -75.08 1.03 8.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.778 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -40.04 79.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.42 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.5 OUTLIER -73.64 -33.53 64.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.655 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -100.06 -160.37 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 107.988 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 19.2 t80 58.29 125.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 44.6 p -108.89 100.69 40.93 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.372 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 1.22 8.0 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.779 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.77 -9.89 36.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.4 t -145.17 41.52 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.357 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.6 t -134.85 160.4 38.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 108.305 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.58 -47.03 70.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.533 ' CE2' HG21 ' A' ' 22' ' ' THR . 17.9 m-85 -98.46 162.48 13.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.59 0.4 42.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.613 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -102.13 135.9 42.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 0.729 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.567 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 2.7 p -79.86 -34.54 39.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -65.11 -53.67 41.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.55 -35.09 78.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.389 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -59.92 -57.56 12.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -56.97 -48.55 78.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 108.013 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.681 ' O ' HG23 ' A' ' 25' ' ' THR . 0.8 OUTLIER -54.44 -60.49 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.332 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.533 HG21 ' CE2' ' A' ' 13' ' ' TYR . 46.9 m -56.53 -24.6 47.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -78.39 -41.19 33.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 108.312 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 49' ' ' SER . 1.8 p -84.58 58.91 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.681 HG23 ' O ' ' A' ' 21' ' ' THR . 70.9 p -137.11 153.59 75.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 110.421 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 127.59 10.77 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.482 1.78 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.12 -143.2 3.91 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -109.11 -26.59 10.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.409 ' HB ' ' HB ' ' A' ' 32' ' ' THR . 35.4 p -121.95 40.89 3.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 t -57.66 -68.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -68.01 -26.82 66.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.409 ' HB ' ' HB ' ' A' ' 29' ' ' THR . 8.7 m -64.27 -31.54 72.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.403 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.425 ' O ' ' SG ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -80.75 -23.88 39.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.278 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.4 m -68.94 -8.77 47.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 108.293 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 p -117.0 1.82 12.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.04 -49.2 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.037 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.587 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 75.3 m -93.54 31.35 1.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 108.313 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.589 ' CE2' ' HB2' ' A' ' 46' ' ' CYS . 14.9 m-85 -157.81 168.56 26.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.426 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 21.7 t70 -113.09 -104.67 0.4 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.591 HG13 HG23 ' A' ' 41' ' ' VAL . 9.2 p -95.43 -53.68 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.591 HG23 HG13 ' A' ' 40' ' ' VAL . 21.4 t -71.73 -53.49 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.571 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -47.03 -29.96 4.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.52 1.138 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' GLN . 5.2 tt0 -81.94 -59.18 2.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.4 ' HG2' ' HA ' ' A' ' 41' ' ' VAL . 1.9 pt20 -63.43 -18.47 63.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.9 -45.08 11.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.589 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 42.4 t -75.02 -28.18 60.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 108.274 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 43' ' ' GLU . 1.4 mt-30 -54.46 -45.18 73.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.4 mtt -78.35 -0.58 29.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' GLN . 1.4 m -124.78 7.2 8.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.085 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -62.79 82.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.1 OUTLIER -84.9 67.63 10.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 108.277 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.518 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.647 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo -74.96 1.41 7.74 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.443 1.759 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.26 -33.49 65.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.42 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.5 OUTLIER -77.58 -28.27 51.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.647 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -112.73 -153.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.03 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 37.8 t80 57.97 121.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.9 p -112.84 95.64 34.4 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 Cg_endo -75.05 1.17 8.06 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.32 -3.88 49.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 t -145.21 40.78 1.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.44 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -146.04 -178.17 5.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.276 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.27 -35.74 12.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.523 ' CD2' HG23 ' A' ' 18' ' ' THR . 4.0 m-30 -87.55 145.59 26.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.13 -4.13 54.02 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.625 ' HB2' HG22 ' A' ' 18' ' ' THR . 27.4 m-20 -102.95 151.05 22.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.581 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 87.9 p -97.4 -34.07 11.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.028 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -72.18 -42.58 65.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.625 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -75.67 -36.21 60.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.415 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -60.39 -55.0 38.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.591 ' NE1' HG21 ' A' ' 24' ' ' THR . 1.7 t-105 -57.15 -51.11 70.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 107.978 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 25' ' ' THR . 0.8 OUTLIER -54.9 -58.47 7.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.51 HG21 ' CE2' ' A' ' 13' ' ' TYR . 13.8 m -57.05 -18.1 12.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.09 -38.31 13.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.31 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.591 HG21 ' NE1' ' A' ' 20' ' ' TRP . 1.4 p -84.28 56.33 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.083 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 21' ' ' THR . 2.6 p -141.84 158.27 62.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.391 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 127.33 10.58 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.529 1.805 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -169.23 -147.14 5.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 29' ' ' THR . 5.8 pt20 -104.64 -35.04 7.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.414 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 23.7 p -121.79 51.64 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.385 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -66.96 -71.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 108.316 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -69.21 -17.34 63.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 111.028 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.4 m -67.19 -30.61 70.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.3 p -90.46 -16.0 29.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 108.323 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.9 m -65.75 -10.46 37.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 108.296 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.5 p -116.01 1.48 13.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.2 m -108.33 -43.91 4.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -93.16 29.8 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 108.274 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.498 ' HB3' ' C ' ' A' ' 42' ' ' GLY . 48.6 m-85 -157.61 174.69 14.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.42 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 33.2 t0 -116.41 -104.48 0.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.651 HG12 ' N ' ' A' ' 41' ' ' VAL . 0.9 OUTLIER -93.76 -66.41 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.651 ' N ' HG12 ' A' ' 40' ' ' VAL . 60.7 t -68.57 -44.0 83.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.498 ' C ' ' HB3' ' A' ' 38' ' ' PHE . . . -48.49 -32.92 10.94 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -85.12 -50.13 7.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.437 ' CG ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -63.5 -20.97 66.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.318 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.58 -39.18 16.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 50' ' ' ALA . 34.2 t -75.95 -31.48 59.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.328 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.92 -47.93 73.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 27.4 mmt -67.65 -38.79 84.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 51' ' ' GLN . 3.3 m -88.91 10.49 21.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.974 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -66.93 72.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' SER . 2.2 mp0 -84.97 66.48 9.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.24 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 108.334 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.689 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo -74.97 1.47 7.69 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.533 1.807 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -56.13 -38.86 71.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.506 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 2.4 t70 -71.99 -23.88 61.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.689 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -114.79 -154.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.575 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 24.3 t80 58.05 124.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.1 p -109.19 100.56 41.36 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -5.08 16.34 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.531 1.806 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.81 -11.96 49.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 t -144.66 43.17 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.4 t -135.16 161.02 36.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 108.306 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.62 -45.98 67.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.738 ' CE2' HG21 ' A' ' 22' ' ' THR . 46.1 m-85 -98.34 159.12 15.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.54 6.06 55.05 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.694 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 2.5 m-20 -110.01 141.16 43.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.575 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 50.0 p -85.14 -34.51 22.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.013 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.55 -53.24 36.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.689 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.7 OUTLIER -67.95 -33.48 74.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -61.54 -57.74 10.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.595 ' NE1' HG21 ' A' ' 24' ' ' THR . 3.4 t-105 -56.53 -51.68 67.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 108.022 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.83 -60.59 3.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.738 HG21 ' CE2' ' A' ' 13' ' ' TYR . 73.3 m -54.79 -18.56 4.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.402 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.03 -39.22 14.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.595 HG21 ' NE1' ' A' ' 20' ' ' TRP . 21.5 p -84.06 62.05 6.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.408 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.403 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 7.8 p -151.89 155.59 33.78 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.37 4.88 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.451 1.764 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.82 -130.98 1.19 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -112.08 -30.42 7.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.1 p -127.68 57.44 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 34.5 t -70.95 -39.65 72.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 108.296 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -107.61 -23.27 12.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.6 m -65.75 -29.42 69.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.0 p -87.51 -19.49 27.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 108.305 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.8 m -65.65 -11.33 43.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 108.309 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.2 p -115.29 1.97 13.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.17 -42.08 4.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.641 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 60.8 m -95.06 26.75 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 108.258 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.641 ' CD1' ' O ' ' A' ' 37' ' ' CYS . 18.7 m-85 -157.32 167.91 28.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 29.7 t0 -109.58 -104.54 0.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 41' ' ' VAL . 9.7 p -94.6 -50.56 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.559 HG11 ' NE1' ' A' ' 5' ' ' TRP . 14.0 t -69.77 -70.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.628 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -35.15 -32.0 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.55 1.156 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 41' ' ' VAL . 1.8 tt0 -73.44 -63.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -68.59 -16.26 63.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.39 -43.09 13.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 47.5 t -74.88 -33.98 62.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 108.262 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 43' ' ' GLU . 1.2 mp0 -54.12 -38.24 65.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.5 mmm -76.24 -23.47 54.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.02 -27.35 19.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -45.97 101.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -117.99 53.17 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 25' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 108.269 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.641 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.2 Cg_endo -74.92 1.07 8.1 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.526 1.803 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 4' ' ' ASP . 7.1 pt-20 -59.48 -38.61 81.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.337 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 3' ' ' GLU . 1.2 m-20 -79.63 -32.29 41.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.641 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -102.88 -154.66 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 108.018 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 8' ' ' PRO . 19.9 t80 57.98 120.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.9 p -112.83 94.3 28.4 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.449 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.1 Cg_endo -74.99 -11.58 21.49 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.758 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.34 -7.13 53.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.7 t -144.87 39.86 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.424 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -149.95 163.23 38.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 108.257 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.508 ' C ' ' CD1' ' A' ' 13' ' ' TYR . . . -97.3 52.46 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.601 ' CD1' ' SG ' ' A' ' 37' ' ' CYS . 15.0 m-85 -146.81 142.96 28.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -97.77 -29.63 7.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.428 ' HB2' ' CG2' ' A' ' 18' ' ' THR . 14.8 m-20 -104.49 152.49 22.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.505 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 79.5 p -87.42 -36.85 17.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -64.85 -40.6 95.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.428 ' CG2' ' HB2' ' A' ' 15' ' ' ASP . 1.5 t -71.19 -41.38 70.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.42 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.436 ' CB ' ' CE1' ' A' ' 6' ' ' PHE . . . -56.26 -57.15 13.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -55.23 -50.11 70.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 108.01 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -54.7 -54.6 39.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.407 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.6 m -62.48 -18.25 61.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.385 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -82.89 -39.84 21.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 108.3 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.438 HG21 ' HB3' ' A' ' 49' ' ' SER . 7.3 p -84.82 59.15 5.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 21' ' ' THR . 29.1 p -133.66 157.86 76.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.35 11.41 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.83 -157.75 17.84 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -97.75 -14.45 20.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.9 p -132.34 45.5 2.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.424 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -64.7 -62.75 1.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.29 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.572 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 29.0 t80 -72.39 -22.81 61.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.0 m -68.98 -40.96 78.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.386 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.434 ' O ' ' SG ' ' A' ' 23' ' ' CYS . 1.3 t -68.33 -25.87 65.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 108.266 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.3 m -67.05 -9.57 40.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 108.339 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.9 t -116.0 1.54 13.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.036 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.13 -44.32 4.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.601 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -93.69 28.62 2.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 108.334 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.475 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 54.2 m-85 -158.0 173.21 17.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.424 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 18.1 t70 -112.86 -106.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.639 HG13 HG23 ' A' ' 41' ' ' VAL . 9.8 p -96.36 -55.43 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.639 HG23 HG13 ' A' ' 40' ' ' VAL . 59.8 t -71.56 -52.8 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.475 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -46.59 -30.87 4.82 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -82.39 -53.28 6.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -22.45 66.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.16 -40.11 15.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 50' ' ' ALA . 38.5 t -74.3 -28.87 61.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 108.278 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.572 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 8.1 mt-30 -54.35 -40.93 68.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.4 mmt -69.82 -37.0 76.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.438 ' HB3' HG21 ' A' ' 24' ' ' THR . 0.4 OUTLIER -78.41 -25.26 46.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.958 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -45.41 101.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -100.79 53.57 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 108.296 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.658 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo -75.04 0.95 8.31 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.539 1.81 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -60.15 -28.86 68.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.547 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.6 OUTLIER -88.7 -12.14 43.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.263 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.658 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -126.34 -151.9 0.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 108.011 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.6 ' CZ ' ' O ' ' A' ' 15' ' ' ASP . 13.3 t80 59.12 128.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.9 p -110.07 99.95 41.58 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.6 Cg_endo -74.96 1.3 7.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.78 . . . . 0.0 111.039 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -93.75 -12.7 28.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 36' ' ' SER . 4.2 t -144.01 43.79 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 35.4 t -134.78 167.25 21.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 108.311 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.44 -34.7 78.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.546 ' CD2' HG23 ' A' ' 18' ' ' THR . 59.3 m-85 -121.44 173.5 7.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.51 -5.19 52.12 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.136 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.6 ' O ' ' CZ ' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -99.95 147.01 26.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.573 ' CB ' ' CD2' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -82.27 -27.94 32.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -71.9 -65.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.546 HG23 ' CD2' ' A' ' 13' ' ' TYR . 1.1 t -54.86 -35.64 64.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.375 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.533 ' CB ' ' CE1' ' A' ' 6' ' ' PHE . . . -65.32 -59.64 3.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.555 ' NE1' HG21 ' A' ' 24' ' ' THR . 2.2 t-105 -54.51 -41.99 70.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 108.025 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.705 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -58.57 -50.61 73.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.417 ' O ' ' OG1' ' A' ' 25' ' ' THR . 2.7 m -67.82 -19.56 65.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.352 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -82.46 -41.21 20.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.298 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.555 HG21 ' NE1' ' A' ' 20' ' ' TRP . 4.0 p -84.8 55.63 3.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.343 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 21' ' ' THR . 7.8 p -141.13 158.46 64.44 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 127.49 10.78 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.431 1.753 . . . . 0.0 111.042 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.05 -145.01 4.38 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.535 ' HG3' HG23 ' A' ' 29' ' ' THR . 10.8 pt20 -105.26 -33.75 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.535 HG23 ' HG3' ' A' ' 28' ' ' GLN . 2.2 p -123.15 51.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.416 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 t -65.21 -67.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 108.289 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.483 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 32.7 t80 -65.56 -26.53 67.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.1 m -72.87 -41.52 64.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.403 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.418 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -54.98 -38.62 68.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 108.319 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.443 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 66.3 m -57.35 -36.44 71.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 108.29 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.9 t -77.76 0.87 21.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -132.52 12.85 4.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.566 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 10.5 m -141.17 15.56 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.286 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 45.3 m-85 -158.13 171.24 20.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.428 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 39.6 t0 -106.09 -104.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.484 HG13 ' N ' ' A' ' 41' ' ' VAL . 7.8 p -95.79 -49.96 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' A' ' 45' ' ' ALA . 24.4 t -72.11 -75.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.583 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -32.85 -34.7 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 41' ' ' VAL . 14.7 tt0 -74.53 -59.58 2.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -67.71 -18.06 64.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -85.73 -46.63 10.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.487 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 42.2 t -65.78 -24.61 66.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.331 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.564 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 5.2 mt-30 -55.63 -49.14 73.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.68 -43.48 93.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 51' ' ' GLN . 1.0 OUTLIER -76.35 -8.9 58.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -59.11 86.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' SER . 8.0 tm0? -100.49 56.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 108.278 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.633 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.4 Cg_endo -74.98 0.63 8.66 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.24 -29.79 66.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.21 -31.51 33.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.633 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -106.04 -152.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.601 ' CZ ' ' O ' ' A' ' 15' ' ' ASP . 22.0 t80 58.45 124.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.0 p -113.72 98.92 48.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.418 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.2 Cg_endo -75.04 0.82 8.46 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -89.76 -12.0 40.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.3 t -138.28 47.8 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 36' ' ' SER . 0.7 OUTLIER -159.53 153.72 23.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 0.0 108.307 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.41 -31.57 71.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -84.79 150.3 25.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.35 -21.64 7.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.544 1.153 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.663 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -91.79 161.43 14.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.516 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 7.3 p -98.19 -40.42 8.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -64.89 -48.96 72.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.588 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -70.39 -37.04 74.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -60.34 -56.46 21.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.491 ' NE1' HG21 ' A' ' 24' ' ' THR . 3.0 t-105 -56.27 -49.61 73.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 108.004 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -55.06 -48.63 73.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.8 m -68.59 -21.43 64.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.43 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.458 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -81.43 -39.76 24.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 108.286 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.491 HG21 ' NE1' ' A' ' 20' ' ' TRP . 12.5 p -84.96 66.41 9.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 21' ' ' THR . 3.3 p -145.17 156.5 54.41 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 130.06 12.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -178.57 -148.87 7.8 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.562 1.164 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -101.43 -27.94 12.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 110.27 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.7 p -122.26 52.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.4 t -73.62 -49.79 24.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 108.336 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.582 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 23.0 t80 -86.93 -21.86 26.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.4 m -75.57 -39.69 57.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -44.95 75.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.267 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.458 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 62.0 m -58.36 -32.4 68.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.0 m -78.65 1.01 24.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 109.981 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.403 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 6.4 p -136.95 14.46 3.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.508 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -140.27 16.26 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.306 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.568 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 51.7 m-85 -157.03 166.35 33.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.76 -83.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -129.75 -45.09 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.529 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 13.1 t -74.33 -46.03 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.568 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -59.76 -40.15 96.25 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.499 1.124 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.469 ' N ' ' HB3' ' A' ' 38' ' ' PHE . 13.6 tt0 -75.04 -50.12 17.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 0.788 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 1.8 pp0? -65.11 -27.55 68.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 41' ' ' VAL . . . -84.23 -34.25 23.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 50' ' ' ALA . 43.5 t -74.61 -29.39 61.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 108.304 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.582 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 12.4 mt-30 -54.36 -46.99 73.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.245 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.9 mtt -65.31 -33.04 75.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -79.43 -28.93 41.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -46.03 98.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 49' ' ' SER . 13.5 tt0 -108.01 53.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 108.303 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.6 m120 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.681 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.3 Cg_endo -74.91 1.58 7.53 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 0.0 111.054 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -58.18 -43.75 87.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.433 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 9.4 t0 -70.79 -32.14 69.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.681 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -100.36 -162.65 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 16' ' ' SER . 22.4 t80 57.87 118.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.496 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 44.4 p -110.21 99.64 40.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 18.2 Cg_endo -75.02 -8.57 20.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -78.2 -20.1 52.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.496 ' CG2' ' OG1' ' A' ' 7' ' ' THR . 3.1 t -128.59 41.42 3.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.44 173.87 12.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.26 -35.24 20.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.552 ' CE2' HG21 ' A' ' 22' ' ' THR . 34.9 m-85 -85.61 154.95 21.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -111.85 -9.29 21.03 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.517 1.135 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.563 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -105.09 145.81 30.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 0.736 . . . . 0.0 109.314 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.581 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 1.6 p -85.73 -32.77 21.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -65.11 -56.1 14.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.525 HG22 ' HB2' ' A' ' 15' ' ' ASP . 1.2 t -65.37 -35.06 79.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -62.98 -58.74 6.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.4 ' O ' ' OG1' ' A' ' 24' ' ' THR . 3.2 t-105 -54.6 -49.28 70.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 107.995 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.668 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -54.04 -63.24 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.467 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.552 HG21 ' CE2' ' A' ' 13' ' ' TYR . 19.7 m -54.64 -18.93 5.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.423 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.429 ' SG ' ' C ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -84.39 -41.87 16.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 108.285 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 20' ' ' TRP . 1.0 OUTLIER -86.03 56.53 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.392 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 21' ' ' THR . 11.3 p -136.76 154.14 76.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 125.99 9.65 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.515 1.797 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.94 -137.02 2.15 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -112.58 -26.94 8.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.3 p -126.02 51.6 1.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.406 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 t -66.6 -67.77 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 108.31 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.578 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 33.4 t80 -67.59 -25.15 65.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.949 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -68.1 -42.34 80.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.429 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -68.78 -23.82 64.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 108.307 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 35.1 m -70.26 -7.28 41.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 108.308 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.8 t -116.14 1.41 13.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.3 -47.31 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.991 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.521 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 1.1 m -93.82 30.77 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 108.258 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.546 ' CD1' ' HA3' ' A' ' 42' ' ' GLY . 19.0 m-85 -158.21 168.16 27.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.408 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 31.0 t0 -113.49 -104.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.085 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.652 HG13 HG23 ' A' ' 41' ' ' VAL . 10.1 p -95.32 -55.59 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.652 HG23 HG13 ' A' ' 40' ' ' VAL . 7.2 t -73.11 -48.7 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.546 ' HA3' ' CD1' ' A' ' 38' ' ' PHE . . . -46.53 -38.7 9.64 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 47' ' ' GLN . 3.0 tt0 -85.1 -41.48 15.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 0.775 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 4.0 mm-40 -64.74 -27.7 69.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.22 -44.43 12.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 50' ' ' ALA . 15.6 t -67.85 -33.77 75.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 108.282 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.578 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 2.9 mt-30 -54.25 -38.78 66.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.9 mtt -74.63 -34.49 62.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 m -92.41 7.3 43.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -62.09 87.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -97.27 64.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.124 . . . . 0.0 108.279 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.636 ' HA ' ' CE3' ' A' ' 5' ' ' TRP . 18.2 Cg_endo -75.08 0.46 8.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -40.44 74.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.343 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -77.37 -40.89 42.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.636 ' CE3' ' HA ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -92.34 -154.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 108.01 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.6 ' CE1' ' CB ' ' A' ' 19' ' ' ALA . 27.6 t80 58.04 117.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.1 p -113.25 93.8 27.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.416 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.55 ' HG3' ' CE2' ' A' ' 6' ' ' PHE . 18.4 Cg_endo -74.94 -13.88 21.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.65 -10.07 59.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -141.07 41.1 1.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.343 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.48 172.36 13.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 108.327 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.8 -37.99 23.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.826 ' CZ ' HG21 ' A' ' 22' ' ' THR . 28.5 m-85 -87.03 151.31 23.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -106.45 -13.25 23.07 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.67 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.1 m-20 -95.01 142.95 26.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.571 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 60.4 p -82.61 -38.53 23.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.988 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -65.34 -51.44 60.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.591 HG22 ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -67.16 -35.38 79.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.358 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.67 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -59.89 -59.08 5.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.535 ' NE1' HG21 ' A' ' 24' ' ' THR . 2.5 t-105 -56.47 -48.77 76.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 108.021 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -55.01 -56.84 15.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.826 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 95.7 m -60.19 -18.04 45.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -85.79 -38.19 18.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 108.321 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.535 HG21 ' NE1' ' A' ' 20' ' ' TRP . 11.0 p -84.6 66.22 9.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 21' ' ' THR . 10.6 p -145.63 156.2 52.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.436 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 123.0 7.54 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.483 1.781 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.5 -158.62 15.88 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.539 1.15 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -87.18 -31.35 20.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 0.739 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.416 ' HB ' ' HB ' ' A' ' 32' ' ' THR . 57.1 p -117.85 50.87 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.437 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.7 t -67.27 -53.79 26.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 108.289 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.574 ' CE2' ' HG2' ' A' ' 47' ' ' GLN . 25.2 t80 -85.85 -23.58 27.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.95 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.416 ' HB ' ' HB ' ' A' ' 29' ' ' THR . 21.4 m -69.51 -43.02 73.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.44 ' O ' ' SG ' ' A' ' 23' ' ' CYS . 1.1 t -64.95 -26.27 68.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 108.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.7 m -68.07 -8.31 36.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.28 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.7 t -115.78 1.48 13.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -105.85 -45.82 4.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.027 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 6' ' ' PHE . 0.8 OUTLIER -94.04 30.67 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.288 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.463 ' HB3' ' C ' ' A' ' 42' ' ' GLY . 48.9 m-85 -158.28 173.68 16.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.41 ' CG ' ' N ' ' A' ' 40' ' ' VAL . 45.3 t0 -115.24 -105.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.673 HG13 HG23 ' A' ' 41' ' ' VAL . 10.5 p -97.15 -55.82 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.673 HG23 HG13 ' A' ' 40' ' ' VAL . 26.4 t -71.93 -46.06 61.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.463 ' C ' ' HB3' ' A' ' 38' ' ' PHE . . . -53.2 -32.5 43.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 47' ' ' GLN . 4.1 tm-20 -83.44 -50.29 8.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -64.38 -24.29 67.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.598 1.186 . . . . 0.0 110.307 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . -86.16 -38.93 17.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 50' ' ' ALA . 23.6 t -76.63 -27.02 55.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.179 . . . . 0.0 108.307 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.574 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 4.5 mt-30 -54.71 -59.89 4.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.2 mtm -64.82 -9.33 19.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 111.039 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.1 p -97.91 -30.71 12.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -48.86 105.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.97 53.88 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 108.26 -179.976 . . . . . . . . 1 1 . 1 stop_ save_