data_2frb_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 2frb _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 108.301 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 110.969 -0.435 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.36 5.34 48.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.97 -20.13 24.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.326 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.22 -118.33 4.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -116.29 7.19 13.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 0.782 . . . . 0.0 110.34 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.31 23.26 14.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.537 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.546 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.4 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.289 -179.958 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 110.975 -0.433 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -101.74 9.09 41.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.52 -31.24 21.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 108.32 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 118.37 -113.68 2.67 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.19 6.32 15.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.71 19.64 20.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.592 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.3 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 48.1 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 108.279 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.969 -0.435 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.87 6.61 46.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.61 -17.55 33.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.341 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.31 -121.38 5.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.0 ptt-85 -118.94 6.89 11.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 110.258 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.78 18.44 21.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 109.622 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 108.277 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.022 -0.415 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -101.48 8.89 41.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.22 -25.15 25.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 108.307 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.38 -114.66 3.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.558 1.161 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -115.8 6.82 14.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.85 23.63 14.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.587 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 50.7 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.306 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 110.986 -0.429 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -101.31 8.06 42.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.8 -21.32 26.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 108.289 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.73 -118.59 4.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.0 ptt-85 -117.47 6.69 12.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.757 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -109.32 20.66 18.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.56 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 111.031 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.7 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 108.289 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.862 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.09 6.92 44.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -87.47 -21.17 25.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 108.308 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.2 -122.35 5.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.05 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 -117.26 5.61 12.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -111.38 24.85 12.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.624 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.554 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.9 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 108.312 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 110.973 -0.433 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.59 5.96 47.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.69 -17.06 32.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 108.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.69 -121.51 5.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -118.54 6.66 11.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.01 24.22 13.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.611 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.553 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 3.8 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 108.29 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.034 -0.41 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.29 7.55 44.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.06 -28.32 24.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 108.304 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.28 -119.32 4.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.426 1.079 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.5 ptt-85 -114.04 6.64 16.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.28 21.19 17.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.617 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' A' ' 11' ' ' TYR . 3.2 t80 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.4 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.272 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.912 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -99.42 6.72 45.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.76 -16.28 39.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 108.32 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.9 -118.83 5.41 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.8 ptt-85 -116.36 6.28 13.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 0.776 . . . . 0.0 110.263 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -107.48 29.61 7.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.585 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 7.0 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.0 t . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 108.248 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 110.949 -0.443 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.78 7.71 43.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.91 -29.15 25.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 108.266 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.75 -118.33 3.88 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.506 1.128 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.15 6.04 16.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 0.739 . . . . 0.0 110.323 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.4 23.22 14.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.578 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 111.026 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 108.312 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -99.4 6.91 45.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.71 -18.89 31.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 108.292 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.04 -119.92 5.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -116.21 8.11 14.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.306 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -109.08 27.03 9.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.631 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 6.9 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 48.8 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 108.307 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 110.99 -0.427 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.78 8.24 43.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.22 -18.96 32.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 108.306 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.72 -115.01 4.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.73 7.32 13.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.782 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -109.19 32.41 4.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.633 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.419 ' CD1' ' O ' ' A' ' 11' ' ' TYR . 1.9 t80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 1.292 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.443 ' SG ' ' O ' ' A' ' 3' ' ' CYS . 36.3 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 108.31 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.501 ' N ' ' CE2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -99.71 7.31 45.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 1.292 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -82.72 -16.02 49.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 108.279 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.78 -114.68 5.09 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 ptt85 -114.34 6.23 16.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.22 31.05 4.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 109.619 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.501 ' CE2' ' N ' ' A' ' 5' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 108.262 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -99.82 7.1 45.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.01 -20.87 32.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 108.285 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.49 -122.27 4.98 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 ptt85 -121.91 5.98 9.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -108.86 15.4 23.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.598 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 108.253 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -99.11 5.85 46.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.52 -12.16 43.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 108.249 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 103.03 -118.41 6.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.09 6.21 15.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.52 28.8 7.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.621 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 11' ' ' TYR . 2.4 t80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.8 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 108.304 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.36 5.14 50.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.59 -17.24 39.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 108.296 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.94 -122.39 5.62 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.8 ptt85 -119.81 6.78 10.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 0.0 110.291 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -108.07 26.54 10.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.625 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.51 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 20.8 t80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.268 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.915 0 N-CA-C 111.045 -0.406 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.88 5.11 49.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.68 -17.53 35.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 108.269 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.22 -119.58 6.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.9 ptt85 -117.42 6.24 12.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.14 30.61 5.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.606 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 108.303 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.36 5.64 48.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.89 -18.65 32.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 108.263 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.91 -115.81 4.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.145 . . . . 0.0 110.986 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.08 6.54 15.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 0.759 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.99 29.43 6.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.61 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 19.6 t80 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 108.31 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.33 10.65 38.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.85 -18.36 44.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 108.262 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.38 -122.64 5.23 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 ptt85 -117.65 5.52 12.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.29 24.68 12.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.606 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.6 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 108.3 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.45 10.39 39.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.17 -18.96 40.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 108.349 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.08 -122.88 5.14 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.493 1.121 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.3 ptt-85 -118.59 5.85 11.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 110.372 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.86 23.8 13.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 109.585 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.7 t80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.97 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 2.7 mt-10 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 1' ' ' GLU . 0.6 OUTLIER 161.79 102.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 108.285 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.7 m -129.4 64.93 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 108.301 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PBF . . . . . 0.519 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.519 ' HD2' ' HB2' ' A' ' 4' ' ' PBF . 18.2 Cg_endo -75.02 0.53 8.8 Favored 'Trans proline' 0 C--N 1.357 1.019 0 O-C-N 124.315 1.692 . . . . 0.0 110.969 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.503 ' HB1' ' CD1' ' A' ' 4' ' ' PBF . . . -98.36 5.34 48.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.97 -20.13 24.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.326 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.22 -118.33 4.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -116.29 7.19 13.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 0.782 . . . . 0.0 110.34 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.31 23.26 14.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.537 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.546 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -68.33 81.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -118.42 134.1 55.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 108.323 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.627 ' O ' ' O ' ' A' ' 12' ' ' SER . 1.2 m 67.44 130.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 108.326 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.4 t -167.61 38.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.289 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PBF . . . . . 0.583 ' CD1' ' HB1' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.523 ' HD2' ' HB2' ' A' ' 4' ' ' PBF . 18.2 Cg_endo -75.06 0.4 8.98 Favored 'Trans proline' 0 C--N 1.357 1.017 0 O-C-N 124.326 1.698 . . . . 0.0 110.975 -178.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.583 ' HB1' ' CD1' ' A' ' 4' ' ' PBF . . . -101.74 9.09 41.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.52 -31.24 21.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 108.32 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 118.37 -113.68 2.67 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.19 6.32 15.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.71 19.64 20.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.592 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.599 ' CE1' ' SG ' ' A' ' 13' ' ' CYS . 6.3 t80 -69.42 115.7 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.627 ' O ' ' O ' ' A' ' 2' ' ' CYS . 1.9 m -119.75 121.64 39.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.978 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.599 ' SG ' ' CE1' ' A' ' 11' ' ' TYR . 66.8 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 108.273 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 6.9 tt0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 1' ' ' GLU . 0.8 OUTLIER 161.14 103.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 108.276 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.218 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 48.1 t -129.08 64.08 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 108.279 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PBF . . . . . 0.576 ' CD1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.516 ' HD2' ' HB2' ' A' ' 4' ' ' PBF . 18.2 Cg_endo -75.07 0.55 8.8 Favored 'Trans proline' 0 C--N 1.357 0.99 0 O-C-N 124.33 1.7 . . . . 0.0 110.969 -178.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.576 ' HB3' ' CD1' ' A' ' 4' ' ' PBF . . . -98.87 6.61 46.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.61 -17.55 33.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.341 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.31 -121.38 5.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.0 ptt-85 -118.94 6.89 11.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 110.258 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.78 18.44 21.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 109.622 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -61.15 98.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.47 109.1 16.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.003 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.218 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.2 t . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 108.324 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 1.6 mm-40 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.601 ' O ' ' O ' ' A' ' 12' ' ' SER . 0.9 OUTLIER 159.45 124.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 108.279 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.8 t -161.6 41.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 108.277 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PBF . . . . . 0.585 ' CD1' ' HB2' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.521 ' HD2' ' HB2' ' A' ' 4' ' ' PBF . 18.4 Cg_endo -74.95 0.31 9.03 Favored 'Trans proline' 0 C--N 1.357 1.024 0 O-C-N 124.266 1.666 . . . . 0.0 111.022 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.585 ' HB2' ' CD1' ' A' ' 4' ' ' PBF . . . -101.48 8.89 41.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.22 -25.15 25.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 108.307 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.38 -114.66 3.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.558 1.161 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -115.8 6.82 14.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.85 23.63 14.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.587 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.599 ' CE1' ' SG ' ' A' ' 13' ' ' CYS . 5.6 t80 -73.27 117.04 14.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.601 ' O ' ' O ' ' A' ' 2' ' ' CYS . 0.2 OUTLIER -118.81 122.37 42.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.599 ' SG ' ' CE1' ' A' ' 11' ' ' TYR . 56.7 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 108.325 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 2.7 mt-10 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.527 ' O ' ' O ' ' A' ' 12' ' ' SER . 0.5 OUTLIER 162.75 102.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 108.28 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.242 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 50.7 t -129.68 67.59 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.306 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PBF . . . . . 0.593 ' CD1' ' HB1' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.545 ' HD2' ' HB2' ' A' ' 4' ' ' PBF . 18.3 Cg_endo -75.06 0.49 8.86 Favored 'Trans proline' 0 C--N 1.358 1.031 0 O-C-N 124.317 1.693 . . . . 0.0 110.986 -178.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.593 ' HB1' ' CD1' ' A' ' 4' ' ' PBF . . . -101.31 8.06 42.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.8 -21.32 26.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 108.289 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.73 -118.59 4.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.0 ptt-85 -117.47 6.69 12.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.757 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -109.32 20.66 18.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.56 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -71.29 98.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 111.031 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.527 ' O ' ' O ' ' A' ' 2' ' ' CYS . 91.8 p -118.09 124.76 48.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.242 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 108.266 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 5.3 tt0 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.731 ' O ' ' HB3' ' A' ' 13' ' ' CYS . 0.8 OUTLIER 159.92 126.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 108.323 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.24 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 16.7 t -141.76 65.61 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 108.289 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PBF . . . . . 0.54 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.54 ' HD2' ' HB2' ' A' ' 4' ' ' PBF . 18.3 Cg_endo -74.99 0.76 8.51 Favored 'Trans proline' 0 C--N 1.357 1.012 0 O-C-N 124.349 1.71 . . . . 0.0 110.987 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.463 ' HB2' ' CD1' ' A' ' 4' ' ' PBF . . . -100.09 6.92 44.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -87.47 -21.17 25.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 108.308 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.2 -122.35 5.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.05 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 -117.26 5.61 12.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -111.38 24.85 12.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.624 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.554 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -71.83 86.21 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 m -120.83 123.37 42.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.24 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 7.2 p . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 108.316 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 14.7 mm-40 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.466 ' O ' ' O ' ' A' ' 12' ' ' SER . 0.3 OUTLIER 164.04 103.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 108.289 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.9 t -130.35 68.48 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 108.312 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PBF . . . . . 0.519 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.519 ' HD2' ' HB2' ' A' ' 4' ' ' PBF . 18.1 Cg_endo -75.04 0.71 8.59 Favored 'Trans proline' 0 C--N 1.357 1.014 0 O-C-N 124.357 1.714 . . . . 0.0 110.973 -178.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.444 ' HB1' ' CD1' ' A' ' 4' ' ' PBF . . . -98.59 5.96 47.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.69 -17.06 32.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 108.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.69 -121.51 5.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -118.54 6.66 11.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.01 24.22 13.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.611 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.553 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 3.8 t80 -57.76 106.89 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.466 ' O ' ' O ' ' A' ' 2' ' ' CYS . 3.2 m -118.57 91.79 3.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.5 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 108.31 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 1' ' ' GLU . 0.6 OUTLIER 161.95 114.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 108.326 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.1 t -136.37 66.7 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 108.29 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PBF . . . . . 0.535 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.535 ' HD2' ' HB2' ' A' ' 4' ' ' PBF . 18.3 Cg_endo -74.95 0.56 8.73 Favored 'Trans proline' 0 C--N 1.358 1.029 0 O-C-N 124.33 1.7 . . . . 0.0 111.034 -178.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.528 ' HB1' ' CD1' ' A' ' 4' ' ' PBF . . . -100.29 7.55 44.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.06 -28.32 24.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 108.304 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.28 -119.32 4.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.426 1.079 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.5 ptt-85 -114.04 6.64 16.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.28 21.19 17.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.617 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' A' ' 11' ' ' TYR . 3.2 t80 -65.55 108.42 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 2' ' ' CYS . 52.2 p -119.95 89.74 3.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 110.025 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 11' ' ' TYR . 1.3 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 108.289 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.535 ' O ' ' O ' ' A' ' 12' ' ' SER . 1.2 pp20? . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 70.53 113.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 108.303 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.4 t -139.93 61.06 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.272 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PBF . . . . . 0.555 ' CD1' ' HB2' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.516 ' HD2' ' HB2' ' A' ' 4' ' ' PBF . 18.3 Cg_endo -75.05 0.73 8.58 Favored 'Trans proline' 0 C--N 1.358 1.026 0 O-C-N 124.354 1.713 . . . . 0.0 110.999 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.555 ' HB2' ' CD1' ' A' ' 4' ' ' PBF . . . -99.42 6.72 45.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.76 -16.28 39.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 108.32 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.9 -118.83 5.41 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.8 ptt-85 -116.36 6.28 13.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 0.776 . . . . 0.0 110.263 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -107.48 29.61 7.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.585 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 7.0 t80 -71.64 99.21 2.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.535 ' O ' ' O ' ' A' ' 1' ' ' GLU . 62.8 m -122.39 88.86 3.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.7 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 108.319 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 12' ' ' SER . 3.6 mt-10 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.494 ' O ' ' O ' ' A' ' 12' ' ' SER . 0.8 OUTLIER 70.65 96.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.28 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.217 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 49.0 t -122.04 67.18 0.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 108.248 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PBF . . . . . 0.589 ' CD1' ' HB1' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.523 ' HD2' ' HB2' ' A' ' 4' ' ' PBF . 18.2 Cg_endo -75.06 0.75 8.55 Favored 'Trans proline' 0 C--N 1.358 1.035 0 O-C-N 124.377 1.725 . . . . 0.0 110.949 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.589 ' HB1' ' CD1' ' A' ' 4' ' ' PBF . . . -100.78 7.71 43.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.91 -29.15 25.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 108.266 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.75 -118.33 3.88 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.506 1.128 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.15 6.04 16.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 0.739 . . . . 0.0 110.323 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.4 23.22 14.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.578 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -66.88 96.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.494 ' O ' ' O ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -116.51 119.35 35.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.217 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 6.5 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 108.263 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.691 ' O ' ' O ' ' A' ' 12' ' ' SER . 6.6 mt-10 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 71.52 96.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 108.287 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 46.5 t -124.6 65.65 1.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 108.312 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PBF . . . . . 0.577 ' CD1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.515 ' HD2' ' HB2' ' A' ' 4' ' ' PBF . 18.2 Cg_endo -75.01 0.59 8.73 Favored 'Trans proline' 0 C--N 1.357 1.024 0 O-C-N 124.371 1.722 . . . . 0.0 111.029 -178.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.577 ' HB3' ' CD1' ' A' ' 4' ' ' PBF . . . -99.4 6.91 45.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.71 -18.89 31.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 108.292 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.04 -119.92 5.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -116.21 8.11 14.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.306 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -109.08 27.03 9.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.631 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 6.9 t80 -67.07 98.87 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.691 ' O ' ' O ' ' A' ' 1' ' ' GLU . 2.7 m -121.46 99.3 6.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.016 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 24.4 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 108.343 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.665 ' O ' ' O ' ' A' ' 12' ' ' SER . 0.8 OUTLIER 159.64 110.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.283 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 48.8 t -155.28 38.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 108.307 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PBF . . . . . 0.515 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.515 ' HD2' ' HB2' ' A' ' 4' ' ' PBF . 18.3 Cg_endo -74.99 0.43 8.91 Favored 'Trans proline' 0 C--N 1.358 1.05 0 O-C-N 124.341 1.706 . . . . 0.0 110.99 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.468 ' HB2' ' CD1' ' A' ' 4' ' ' PBF . . . -100.78 8.24 43.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.22 -18.96 32.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 108.306 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.72 -115.01 4.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.73 7.32 13.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.782 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -109.19 32.41 4.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.633 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.598 ' CE2' ' SG ' ' A' ' 13' ' ' CYS . 1.9 t80 -75.5 118.97 18.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.665 ' O ' ' O ' ' A' ' 2' ' ' CYS . 45.1 t -122.07 114.72 21.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.598 ' SG ' ' CE2' ' A' ' 11' ' ' TYR . 33.4 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.283 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.292 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER 69.07 107.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 108.31 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.443 ' SG ' ' O ' ' A' ' 3' ' ' CYS . 36.3 t -151.05 39.56 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 108.31 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PBF . . . . . 0.679 ' C ' ' CE2' ' A' ' 11' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.509 ' HD2' ' HB2' ' A' ' 4' ' ' PBF . 18.4 Cg_endo -74.98 0.5 8.82 Favored 'Trans proline' 0 C--N 1.357 1.024 0 O-C-N 124.307 1.688 . . . . 0.0 111.001 -178.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.593 ' HB1' ' CD1' ' A' ' 4' ' ' PBF . . . -99.71 7.31 45.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 1.292 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -82.72 -16.02 49.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 108.279 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.78 -114.68 5.09 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 ptt85 -114.34 6.23 16.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.22 31.05 4.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 109.619 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.679 ' CE2' ' C ' ' A' ' 4' ' ' PBF . 0.3 OUTLIER -73.71 106.9 5.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.503 ' O ' ' O ' ' A' ' 2' ' ' CYS . 2.2 m -118.33 94.84 4.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 12' ' ' SER . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 108.313 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 1' ' ' GLU . 0.1 OUTLIER 166.92 100.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 108.29 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.173 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.3 t -130.28 70.84 1.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 108.262 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PBF . . . . . 0.556 ' CD1' ' HB2' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.537 ' HD2' ' HB2' ' A' ' 4' ' ' PBF . 18.1 Cg_endo -75.02 0.45 8.9 Favored 'Trans proline' 0 C--N 1.357 1.011 0 O-C-N 124.398 1.736 . . . . 0.0 110.987 -178.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.556 ' HB2' ' CD1' ' A' ' 4' ' ' PBF . . . -99.82 7.1 45.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.01 -20.87 32.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 108.285 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.49 -122.27 4.98 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 ptt85 -121.91 5.98 9.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -108.86 15.4 23.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.598 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -52.87 98.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.7 t -118.63 119.56 34.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.173 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 108.288 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.425 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 2.3 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.612 ' O ' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER 165.26 101.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 108.334 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.4 t -130.87 69.0 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 108.253 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PBF . . . . . 0.561 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.561 ' HD2' ' HB2' ' A' ' 4' ' ' PBF . 18.1 Cg_endo -75.0 0.83 8.43 Favored 'Trans proline' 0 C--N 1.358 1.05 0 O-C-N 124.37 1.721 . . . . 0.0 111.01 -178.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.407 ' HB1' ' CD1' ' A' ' 4' ' ' PBF . . . -99.11 5.85 46.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.52 -12.16 43.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 108.249 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 103.03 -118.41 6.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.09 6.21 15.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.52 28.8 7.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.621 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.486 ' CE2' ' SG ' ' A' ' 13' ' ' CYS . 2.4 t80 -74.47 114.18 12.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.612 ' O ' ' O ' ' A' ' 2' ' ' CYS . 3.6 t -121.18 128.74 52.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.958 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.486 ' SG ' ' CE2' ' A' ' 11' ' ' TYR . 89.0 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.158 . . . . 0.0 108.294 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 13.5 pt-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 1' ' ' GLU . 0.1 OUTLIER 166.62 101.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 108.319 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.8 m -128.5 70.38 1.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 108.304 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PBF . . . . . 0.519 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.519 ' HD2' ' HB2' ' A' ' 4' ' ' PBF . 18.4 Cg_endo -74.99 0.59 8.72 Favored 'Trans proline' 0 C--N 1.357 1.023 0 O-C-N 124.322 1.696 . . . . 0.0 110.985 -178.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.518 ' HB1' ' CD1' ' A' ' 4' ' ' PBF . . . -97.36 5.14 50.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.59 -17.24 39.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 108.296 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.94 -122.39 5.62 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.8 ptt85 -119.81 6.78 10.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 0.0 110.291 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -108.07 26.54 10.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.625 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.51 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 20.8 t80 -57.93 100.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 m -118.41 112.5 20.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.944 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 108.348 179.938 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 167.74 100.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 108.272 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m -128.69 72.1 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.268 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PBF . . . . . 0.54 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.54 ' HD2' ' HB2' ' A' ' 4' ' ' PBF . 18.5 Cg_endo -74.98 0.7 8.58 Favored 'Trans proline' 0 C--N 1.358 1.027 0 O-C-N 124.332 1.701 . . . . 0.0 111.045 -178.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.506 ' HB2' ' CD1' ' A' ' 4' ' ' PBF . . . -97.88 5.11 49.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.68 -17.53 35.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 108.269 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.22 -119.58 6.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.9 ptt85 -117.42 6.24 12.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.14 30.61 5.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.606 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.497 ' CE2' ' C ' ' A' ' 4' ' ' PBF . 3.5 t80 -62.43 119.54 9.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.46 87.49 2.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 108.29 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.446 ' O ' ' HB3' ' A' ' 13' ' ' CYS . 0.1 OUTLIER 166.18 104.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 108.31 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.152 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 5.7 t -132.62 69.74 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 108.303 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PBF . . . . . 0.554 ' CD1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.542 ' HD2' ' HB2' ' A' ' 4' ' ' PBF . 18.2 Cg_endo -75.04 0.66 8.65 Favored 'Trans proline' 0 C--N 1.358 1.038 0 O-C-N 124.304 1.687 . . . . 0.0 111.01 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.554 ' HB3' ' CD1' ' A' ' 4' ' ' PBF . . . -98.36 5.64 48.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.89 -18.65 32.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 108.263 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.91 -115.81 4.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.145 . . . . 0.0 110.986 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.08 6.54 15.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 0.759 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.99 29.43 6.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.61 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 19.6 t80 -70.81 80.58 0.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 t -119.77 123.2 43.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.016 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.152 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 30.4 p . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 108.346 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.447 ' O ' ' O ' ' A' ' 12' ' ' SER . 0.4 OUTLIER 163.91 104.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 108.325 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 t -147.43 47.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 108.31 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PBF . . . . . 0.595 ' CD1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.512 ' HD2' ' HB2' ' A' ' 4' ' ' PBF . 18.5 Cg_endo -74.99 0.44 8.9 Favored 'Trans proline' 0 C--N 1.358 1.034 0 O-C-N 124.35 1.71 . . . . 0.0 110.976 -178.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.595 ' HB3' ' CD1' ' A' ' 4' ' ' PBF . . . -102.33 10.65 38.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.85 -18.36 44.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 108.262 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.38 -122.64 5.23 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 ptt85 -117.65 5.52 12.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.29 24.68 12.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.606 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -51.12 111.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.447 ' O ' ' O ' ' A' ' 2' ' ' CYS . 31.0 t -117.8 162.64 17.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 108.305 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER 164.73 101.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 108.329 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.3 t -142.17 52.81 1.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 108.3 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PBF . . . . . 0.591 ' CD1' ' HB2' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.522 ' HD2' ' HB2' ' A' ' 4' ' ' PBF . 18.4 Cg_endo -74.99 0.56 8.75 Favored 'Trans proline' 0 C--N 1.357 1.016 0 O-C-N 124.297 1.683 . . . . 0.0 110.998 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.591 ' HB2' ' CD1' ' A' ' 4' ' ' PBF . . . -102.45 10.39 39.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.17 -18.96 40.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 108.349 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.08 -122.88 5.14 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.493 1.121 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.3 ptt-85 -118.59 5.85 11.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 110.372 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.86 23.8 13.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 109.585 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -48.4 115.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.458 ' O ' ' O ' ' A' ' 2' ' ' CYS . 2.3 t -118.17 163.32 16.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.022 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 108.275 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 108.301 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 110.969 -0.435 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.36 5.34 48.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.97 -20.13 24.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.326 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.22 -118.33 4.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -116.29 7.19 13.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 0.782 . . . . 0.0 110.34 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.31 23.26 14.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.537 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.546 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.4 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.289 -179.958 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 110.975 -0.433 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -101.74 9.09 41.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.52 -31.24 21.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 108.32 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 118.37 -113.68 2.67 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.19 6.32 15.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.71 19.64 20.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.592 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.3 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 48.1 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 108.279 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.969 -0.435 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.87 6.61 46.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.61 -17.55 33.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.341 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.31 -121.38 5.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.0 ptt-85 -118.94 6.89 11.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 110.258 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.78 18.44 21.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 109.622 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 108.277 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.022 -0.415 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -101.48 8.89 41.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.22 -25.15 25.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 108.307 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.38 -114.66 3.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.558 1.161 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -115.8 6.82 14.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.85 23.63 14.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.587 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 50.7 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.306 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 110.986 -0.429 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -101.31 8.06 42.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.8 -21.32 26.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 108.289 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.73 -118.59 4.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.0 ptt-85 -117.47 6.69 12.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.757 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -109.32 20.66 18.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.56 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 111.031 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.7 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 108.289 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.862 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.09 6.92 44.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -87.47 -21.17 25.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 108.308 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.2 -122.35 5.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.05 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 -117.26 5.61 12.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -111.38 24.85 12.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.624 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.554 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.9 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 108.312 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 110.973 -0.433 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.59 5.96 47.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.69 -17.06 32.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 108.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.69 -121.51 5.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -118.54 6.66 11.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.01 24.22 13.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.611 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.553 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 3.8 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 108.29 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.034 -0.41 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.29 7.55 44.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.06 -28.32 24.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 108.304 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.28 -119.32 4.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.426 1.079 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.5 ptt-85 -114.04 6.64 16.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.28 21.19 17.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.617 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.54 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 3.2 t80 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.4 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.272 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.912 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -99.42 6.72 45.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.76 -16.28 39.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 108.32 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.9 -118.83 5.41 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.8 ptt-85 -116.36 6.28 13.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 0.776 . . . . 0.0 110.263 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -107.48 29.61 7.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.585 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 7.0 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.0 t . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 108.248 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 110.949 -0.443 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.78 7.71 43.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.91 -29.15 25.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 108.266 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.75 -118.33 3.88 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.506 1.128 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.15 6.04 16.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 0.739 . . . . 0.0 110.323 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.4 23.22 14.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.578 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 111.026 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 108.312 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -99.4 6.91 45.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.71 -18.89 31.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 108.292 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.04 -119.92 5.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -116.21 8.11 14.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.306 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -109.08 27.03 9.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.631 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 6.9 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 48.8 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 108.307 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 110.99 -0.427 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.78 8.24 43.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.22 -18.96 32.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 108.306 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.72 -115.01 4.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.73 7.32 13.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.782 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -109.19 32.41 4.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.633 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.419 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 1.9 t80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 1.292 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.443 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 36.3 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 108.31 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.501 ' N ' ' CE2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -99.71 7.31 45.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 1.292 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -82.72 -16.02 49.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 108.279 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.78 -114.68 5.09 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 ptt85 -114.34 6.23 16.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.22 31.05 4.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 109.619 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.501 ' CE2' ' N ' ' A' ' 5' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 108.262 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -99.82 7.1 45.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.01 -20.87 32.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 108.285 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.49 -122.27 4.98 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 ptt85 -121.91 5.98 9.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -108.86 15.4 23.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.598 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 108.253 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -99.11 5.85 46.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.52 -12.16 43.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 108.249 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 103.03 -118.41 6.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.09 6.21 15.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.52 28.8 7.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.621 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.472 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 2.4 t80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.8 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 108.304 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.36 5.14 50.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.59 -17.24 39.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 108.296 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.94 -122.39 5.62 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.8 ptt85 -119.81 6.78 10.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 0.0 110.291 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -108.07 26.54 10.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.625 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.51 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 20.8 t80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.268 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.915 0 N-CA-C 111.045 -0.406 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.88 5.11 49.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.68 -17.53 35.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 108.269 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.22 -119.58 6.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.9 ptt85 -117.42 6.24 12.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.14 30.61 5.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.606 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 108.303 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.36 5.64 48.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.89 -18.65 32.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 108.263 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.91 -115.81 4.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.145 . . . . 0.0 110.986 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.08 6.54 15.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 0.759 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.99 29.43 6.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.61 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 19.6 t80 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 108.31 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.33 10.65 38.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.85 -18.36 44.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 108.262 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.38 -122.64 5.23 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 ptt85 -117.65 5.52 12.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.29 24.68 12.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.606 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.6 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 108.3 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.45 10.39 39.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.17 -18.96 40.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 108.349 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.08 -122.88 5.14 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.493 1.121 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.3 ptt-85 -118.59 5.85 11.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 110.372 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.86 23.8 13.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 109.585 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.7 t80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.97 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 2.7 mt-10 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 1' ' ' GLU . 0.6 OUTLIER 161.79 102.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 108.285 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.7 m -129.4 64.93 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 108.301 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PBF . . . . . 0.76 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.526 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.2 Cg_endo -75.02 0.53 8.8 Favored 'Trans proline' 0 C--N 1.357 1.019 0 O-C-N 124.315 1.692 . . . . 0.0 110.969 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.76 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -98.36 5.34 48.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.97 -20.13 24.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.326 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.22 -118.33 4.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -116.29 7.19 13.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 0.782 . . . . 0.0 110.34 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.31 23.26 14.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.537 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.546 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -68.33 81.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -118.42 134.1 55.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 108.323 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.627 ' O ' ' O ' ' A' ' 12' ' ' SER . 1.2 m 67.44 130.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 108.326 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.4 t -167.61 38.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.289 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PBF . . . . . 1.008 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.534 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.2 Cg_endo -75.06 0.4 8.98 Favored 'Trans proline' 0 C--N 1.357 1.017 0 O-C-N 124.326 1.698 . . . . 0.0 110.975 -178.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.008 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -101.74 9.09 41.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.52 -31.24 21.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 108.32 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 118.37 -113.68 2.67 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.19 6.32 15.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.71 19.64 20.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.592 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.599 ' CE1' ' SG ' ' A' ' 13' ' ' CYS . 6.3 t80 -69.42 115.7 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.627 ' O ' ' O ' ' A' ' 2' ' ' CYS . 1.9 m -119.75 121.64 39.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.978 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.599 ' SG ' ' CE1' ' A' ' 11' ' ' TYR . 66.8 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 108.273 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 6.9 tt0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 1' ' ' GLU . 0.8 OUTLIER 161.14 103.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 108.276 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.121 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 48.1 t -129.08 64.08 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 108.279 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PBF . . . . . 0.812 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.523 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.2 Cg_endo -75.07 0.55 8.8 Favored 'Trans proline' 0 C--N 1.357 0.99 0 O-C-N 124.33 1.7 . . . . 0.0 110.969 -178.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.812 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -98.87 6.61 46.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.61 -17.55 33.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.341 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.31 -121.38 5.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.0 ptt-85 -118.94 6.89 11.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 110.258 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.78 18.44 21.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 109.622 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -61.15 98.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.47 109.1 16.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.003 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.121 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.2 t . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 108.324 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 1.6 mm-40 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.601 ' O ' ' O ' ' A' ' 12' ' ' SER . 0.9 OUTLIER 159.45 124.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 108.279 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.8 t -161.6 41.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 108.277 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PBF . . . . . 1.013 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.4 Cg_endo -74.95 0.31 9.03 Favored 'Trans proline' 0 C--N 1.357 1.024 0 O-C-N 124.266 1.666 . . . . 0.0 111.022 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.013 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -101.48 8.89 41.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.22 -25.15 25.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 108.307 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.38 -114.66 3.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.558 1.161 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -115.8 6.82 14.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.85 23.63 14.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.587 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.599 ' CE1' ' SG ' ' A' ' 13' ' ' CYS . 5.6 t80 -73.27 117.04 14.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.601 ' O ' ' O ' ' A' ' 2' ' ' CYS . 0.2 OUTLIER -118.81 122.37 42.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.599 ' SG ' ' CE1' ' A' ' 11' ' ' TYR . 56.7 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 108.325 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 2.7 mt-10 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.527 ' O ' ' O ' ' A' ' 12' ' ' SER . 0.5 OUTLIER 162.75 102.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 108.28 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.227 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 50.7 t -129.68 67.59 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.306 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PBF . . . . . 1.029 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.553 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.3 Cg_endo -75.06 0.49 8.86 Favored 'Trans proline' 0 C--N 1.358 1.031 0 O-C-N 124.317 1.693 . . . . 0.0 110.986 -178.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.029 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -101.31 8.06 42.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.8 -21.32 26.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 108.289 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.73 -118.59 4.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.0 ptt-85 -117.47 6.69 12.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.757 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -109.32 20.66 18.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.56 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -71.29 98.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 111.031 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.527 ' O ' ' O ' ' A' ' 2' ' ' CYS . 91.8 p -118.09 124.76 48.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.227 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 108.266 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 5.3 tt0 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.731 ' O ' ' HB3' ' A' ' 13' ' ' CYS . 0.8 OUTLIER 159.92 126.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 108.323 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.24 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 16.7 t -141.76 65.61 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 108.289 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PBF . . . . . 0.805 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.553 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.3 Cg_endo -74.99 0.76 8.51 Favored 'Trans proline' 0 C--N 1.357 1.012 0 O-C-N 124.349 1.71 . . . . 0.0 110.987 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.805 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -100.09 6.92 44.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -87.47 -21.17 25.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 108.308 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.2 -122.35 5.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.05 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 -117.26 5.61 12.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -111.38 24.85 12.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.624 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.554 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -71.83 86.21 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 m -120.83 123.37 42.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.24 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 7.2 p . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 108.316 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 14.7 mm-40 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.466 ' O ' ' O ' ' A' ' 12' ' ' SER . 0.3 OUTLIER 164.04 103.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 108.289 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.422 ' HA ' ' HB2' ' A' ' 13' ' ' CYS . 16.9 t -130.35 68.48 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 108.312 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PBF . . . . . 0.734 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.1 Cg_endo -75.04 0.71 8.59 Favored 'Trans proline' 0 C--N 1.357 1.014 0 O-C-N 124.357 1.714 . . . . 0.0 110.973 -178.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.734 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -98.59 5.96 47.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.69 -17.06 32.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 108.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.69 -121.51 5.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -118.54 6.66 11.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.01 24.22 13.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.611 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.553 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 3.8 t80 -57.76 106.89 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.466 ' O ' ' O ' ' A' ' 2' ' ' CYS . 3.2 m -118.57 91.79 3.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 3' ' ' CYS . 18.5 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 108.31 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 1' ' ' GLU . 0.6 OUTLIER 161.95 114.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 108.326 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.1 t -136.37 66.7 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 108.29 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PBF . . . . . 0.844 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.541 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.3 Cg_endo -74.95 0.56 8.73 Favored 'Trans proline' 0 C--N 1.358 1.029 0 O-C-N 124.33 1.7 . . . . 0.0 111.034 -178.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.844 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -100.29 7.55 44.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.06 -28.32 24.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 108.304 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.28 -119.32 4.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.426 1.079 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.5 ptt-85 -114.04 6.64 16.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.28 21.19 17.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.617 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.54 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 3.2 t80 -65.55 108.42 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 2' ' ' CYS . 52.2 p -119.95 89.74 3.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 110.025 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 11' ' ' TYR . 1.3 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 108.289 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.535 ' O ' ' O ' ' A' ' 12' ' ' SER . 1.2 pp20? . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 70.53 113.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 108.303 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.4 t -139.93 61.06 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.272 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PBF . . . . . 0.809 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.532 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.3 Cg_endo -75.05 0.73 8.58 Favored 'Trans proline' 0 C--N 1.358 1.026 0 O-C-N 124.354 1.713 . . . . 0.0 110.999 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.809 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -99.42 6.72 45.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.76 -16.28 39.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 108.32 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.9 -118.83 5.41 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.8 ptt-85 -116.36 6.28 13.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 0.776 . . . . 0.0 110.263 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -107.48 29.61 7.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.585 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 7.0 t80 -71.64 99.21 2.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.535 ' O ' ' O ' ' A' ' 1' ' ' GLU . 62.8 m -122.39 88.86 3.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.7 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 108.319 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 12' ' ' SER . 3.6 mt-10 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.494 ' O ' ' O ' ' A' ' 12' ' ' SER . 0.8 OUTLIER 70.65 96.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.28 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.896 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 49.0 t -122.04 67.18 0.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 108.248 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PBF . . . . . 1.008 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.2 Cg_endo -75.06 0.75 8.55 Favored 'Trans proline' 0 C--N 1.358 1.035 0 O-C-N 124.377 1.725 . . . . 0.0 110.949 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.008 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -100.78 7.71 43.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.91 -29.15 25.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 108.266 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.75 -118.33 3.88 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.506 1.128 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.15 6.04 16.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 0.739 . . . . 0.0 110.323 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.4 23.22 14.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.578 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -66.88 96.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.494 ' O ' ' O ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -116.51 119.35 35.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.896 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 6.5 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 108.263 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.691 ' O ' ' O ' ' A' ' 12' ' ' SER . 6.6 mt-10 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 71.52 96.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 108.287 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 46.5 t -124.6 65.65 1.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 108.312 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PBF . . . . . 0.821 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.2 Cg_endo -75.01 0.59 8.73 Favored 'Trans proline' 0 C--N 1.357 1.024 0 O-C-N 124.371 1.722 . . . . 0.0 111.029 -178.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.821 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -99.4 6.91 45.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.71 -18.89 31.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 108.292 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.04 -119.92 5.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -116.21 8.11 14.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.306 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -109.08 27.03 9.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.631 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 6.9 t80 -67.07 98.87 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.691 ' O ' ' O ' ' A' ' 1' ' ' GLU . 2.7 m -121.46 99.3 6.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.016 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 24.4 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 108.343 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.665 ' O ' ' O ' ' A' ' 12' ' ' SER . 0.8 OUTLIER 159.64 110.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.283 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 48.8 t -155.28 38.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 108.307 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PBF . . . . . 0.888 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.514 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.3 Cg_endo -74.99 0.43 8.91 Favored 'Trans proline' 0 C--N 1.358 1.05 0 O-C-N 124.341 1.706 . . . . 0.0 110.99 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.888 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -100.78 8.24 43.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.22 -18.96 32.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 108.306 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.72 -115.01 4.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.73 7.32 13.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.782 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -109.19 32.41 4.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.633 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.598 ' CE2' ' SG ' ' A' ' 13' ' ' CYS . 1.9 t80 -75.5 118.97 18.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.665 ' O ' ' O ' ' A' ' 2' ' ' CYS . 45.1 t -122.07 114.72 21.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.598 ' SG ' ' CE2' ' A' ' 11' ' ' TYR . 33.4 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.283 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.292 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER 69.07 107.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 108.31 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.443 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 36.3 t -151.05 39.56 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 108.31 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PBF . . . . . 0.991 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.523 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.4 Cg_endo -74.98 0.5 8.82 Favored 'Trans proline' 0 C--N 1.357 1.024 0 O-C-N 124.307 1.688 . . . . 0.0 111.001 -178.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.991 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -99.71 7.31 45.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 1.292 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -82.72 -16.02 49.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 108.279 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.78 -114.68 5.09 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 ptt85 -114.34 6.23 16.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.22 31.05 4.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 109.619 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.679 ' CE2' ' C ' ' A' ' 4' ' ' PBF . 0.3 OUTLIER -73.71 106.9 5.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.503 ' O ' ' O ' ' A' ' 2' ' ' CYS . 2.2 m -118.33 94.84 4.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 12' ' ' SER . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 108.313 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 1' ' ' GLU . 0.1 OUTLIER 166.92 100.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 108.29 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.162 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.3 t -130.28 70.84 1.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 108.262 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PBF . . . . . 0.842 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.548 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.1 Cg_endo -75.02 0.45 8.9 Favored 'Trans proline' 0 C--N 1.357 1.011 0 O-C-N 124.398 1.736 . . . . 0.0 110.987 -178.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.842 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -99.82 7.1 45.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.01 -20.87 32.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 108.285 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.49 -122.27 4.98 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 ptt85 -121.91 5.98 9.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -108.86 15.4 23.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.598 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -52.87 98.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.7 t -118.63 119.56 34.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.162 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 108.288 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.425 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 2.3 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.612 ' O ' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER 165.26 101.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 108.334 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.4 t -130.87 69.0 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 108.253 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PBF . . . . . 0.742 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.57 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.1 Cg_endo -75.0 0.83 8.43 Favored 'Trans proline' 0 C--N 1.358 1.05 0 O-C-N 124.37 1.721 . . . . 0.0 111.01 -178.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.742 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -99.11 5.85 46.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.52 -12.16 43.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 108.249 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 103.03 -118.41 6.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.09 6.21 15.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.52 28.8 7.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.621 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.486 ' CE2' ' SG ' ' A' ' 13' ' ' CYS . 2.4 t80 -74.47 114.18 12.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.612 ' O ' ' O ' ' A' ' 2' ' ' CYS . 3.6 t -121.18 128.74 52.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.958 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.486 ' SG ' ' CE2' ' A' ' 11' ' ' TYR . 89.0 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.158 . . . . 0.0 108.294 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 13.5 pt-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 1' ' ' GLU . 0.1 OUTLIER 166.62 101.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 108.319 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.8 m -128.5 70.38 1.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 108.304 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PBF . . . . . 0.78 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.4 Cg_endo -74.99 0.59 8.72 Favored 'Trans proline' 0 C--N 1.357 1.023 0 O-C-N 124.322 1.696 . . . . 0.0 110.985 -178.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.78 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -97.36 5.14 50.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.59 -17.24 39.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 108.296 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.94 -122.39 5.62 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.8 ptt85 -119.81 6.78 10.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 0.0 110.291 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -108.07 26.54 10.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.625 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.51 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 20.8 t80 -57.93 100.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 m -118.41 112.5 20.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.944 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 108.348 179.938 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 167.74 100.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 108.272 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m -128.69 72.1 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.268 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PBF . . . . . 0.773 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.553 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.5 Cg_endo -74.98 0.7 8.58 Favored 'Trans proline' 0 C--N 1.358 1.027 0 O-C-N 124.332 1.701 . . . . 0.0 111.045 -178.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.773 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -97.88 5.11 49.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.68 -17.53 35.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 108.269 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.22 -119.58 6.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.9 ptt85 -117.42 6.24 12.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.14 30.61 5.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.606 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.497 ' CE2' ' C ' ' A' ' 4' ' ' PBF . 3.5 t80 -62.43 119.54 9.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.46 87.49 2.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 108.29 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.446 ' O ' ' HB3' ' A' ' 13' ' ' CYS . 0.1 OUTLIER 166.18 104.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 108.31 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.152 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 5.7 t -132.62 69.74 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 108.303 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PBF . . . . . 0.756 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.545 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.2 Cg_endo -75.04 0.66 8.65 Favored 'Trans proline' 0 C--N 1.358 1.038 0 O-C-N 124.304 1.687 . . . . 0.0 111.01 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.756 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -98.36 5.64 48.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.89 -18.65 32.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 108.263 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.91 -115.81 4.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.145 . . . . 0.0 110.986 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.08 6.54 15.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 0.759 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.99 29.43 6.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.61 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 19.6 t80 -70.81 80.58 0.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 t -119.77 123.2 43.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.016 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.152 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 30.4 p . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 108.346 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.447 ' O ' ' O ' ' A' ' 12' ' ' SER . 0.4 OUTLIER 163.91 104.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 108.325 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 t -147.43 47.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 108.31 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PBF . . . . . 1.027 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.5 Cg_endo -74.99 0.44 8.9 Favored 'Trans proline' 0 C--N 1.358 1.034 0 O-C-N 124.35 1.71 . . . . 0.0 110.976 -178.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.027 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -102.33 10.65 38.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.85 -18.36 44.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 108.262 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.38 -122.64 5.23 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 ptt85 -117.65 5.52 12.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.29 24.68 12.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.606 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -51.12 111.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.447 ' O ' ' O ' ' A' ' 2' ' ' CYS . 31.0 t -117.8 162.64 17.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 108.305 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER 164.73 101.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 108.329 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.3 t -142.17 52.81 1.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 108.3 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PBF . . . . . 1.031 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.524 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.4 Cg_endo -74.99 0.56 8.75 Favored 'Trans proline' 0 C--N 1.357 1.016 0 O-C-N 124.297 1.683 . . . . 0.0 110.998 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.031 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -102.45 10.39 39.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.17 -18.96 40.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 108.349 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.08 -122.88 5.14 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.493 1.121 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.3 ptt-85 -118.59 5.85 11.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 110.372 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.86 23.8 13.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 109.585 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -48.4 115.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.458 ' O ' ' O ' ' A' ' 2' ' ' CYS . 2.3 t -118.17 163.32 16.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.022 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 108.275 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 108.301 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 110.969 -0.435 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.36 5.34 48.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.97 -20.13 24.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.326 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.22 -118.33 4.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -116.29 7.19 13.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 0.782 . . . . 0.0 110.34 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.31 23.26 14.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.537 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.546 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.4 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.289 -179.958 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 110.975 -0.433 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -101.74 9.09 41.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.52 -31.24 21.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 108.32 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 118.37 -113.68 2.67 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.19 6.32 15.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.71 19.64 20.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.592 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.3 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 48.1 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 108.279 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.969 -0.435 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.87 6.61 46.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.61 -17.55 33.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.341 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.31 -121.38 5.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.0 ptt-85 -118.94 6.89 11.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 110.258 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.78 18.44 21.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 109.622 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 108.277 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.022 -0.415 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -101.48 8.89 41.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.22 -25.15 25.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 108.307 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.38 -114.66 3.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.558 1.161 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -115.8 6.82 14.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.85 23.63 14.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.587 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 50.7 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.306 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 110.986 -0.429 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -101.31 8.06 42.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.8 -21.32 26.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 108.289 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.73 -118.59 4.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.0 ptt-85 -117.47 6.69 12.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.757 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -109.32 20.66 18.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.56 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 111.031 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.7 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 108.289 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.862 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.09 6.92 44.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -87.47 -21.17 25.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 108.308 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.2 -122.35 5.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.05 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 -117.26 5.61 12.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -111.38 24.85 12.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.624 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.554 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.9 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 108.312 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 110.973 -0.433 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.59 5.96 47.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.69 -17.06 32.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 108.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.69 -121.51 5.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -118.54 6.66 11.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.01 24.22 13.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.611 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.553 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 3.8 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 108.29 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.034 -0.41 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.29 7.55 44.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.06 -28.32 24.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 108.304 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.28 -119.32 4.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.426 1.079 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.5 ptt-85 -114.04 6.64 16.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.28 21.19 17.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.617 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.54 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 3.2 t80 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.4 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.272 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.912 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -99.42 6.72 45.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.76 -16.28 39.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 108.32 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.9 -118.83 5.41 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.8 ptt-85 -116.36 6.28 13.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 0.776 . . . . 0.0 110.263 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -107.48 29.61 7.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.585 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 7.0 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.0 t . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 108.248 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 110.949 -0.443 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.78 7.71 43.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.91 -29.15 25.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 108.266 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.75 -118.33 3.88 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.506 1.128 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.15 6.04 16.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 0.739 . . . . 0.0 110.323 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.4 23.22 14.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.578 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 111.026 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 108.312 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -99.4 6.91 45.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.71 -18.89 31.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 108.292 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.04 -119.92 5.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -116.21 8.11 14.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.306 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -109.08 27.03 9.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.631 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 6.9 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 48.8 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 108.307 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 110.99 -0.427 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.78 8.24 43.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.22 -18.96 32.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 108.306 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.72 -115.01 4.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.73 7.32 13.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.782 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -109.19 32.41 4.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.633 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.419 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 1.9 t80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 1.292 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.443 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 36.3 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 108.31 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.501 ' N ' ' CE2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -99.71 7.31 45.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 1.292 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -82.72 -16.02 49.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 108.279 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.78 -114.68 5.09 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 ptt85 -114.34 6.23 16.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.22 31.05 4.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 109.619 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.501 ' CE2' ' N ' ' A' ' 5' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 108.262 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -99.82 7.1 45.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.01 -20.87 32.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 108.285 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.49 -122.27 4.98 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 ptt85 -121.91 5.98 9.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -108.86 15.4 23.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.598 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 108.253 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -99.11 5.85 46.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.52 -12.16 43.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 108.249 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 103.03 -118.41 6.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.09 6.21 15.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.52 28.8 7.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.621 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.472 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 2.4 t80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.8 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 108.304 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.36 5.14 50.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.59 -17.24 39.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 108.296 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.94 -122.39 5.62 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.8 ptt85 -119.81 6.78 10.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 0.0 110.291 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -108.07 26.54 10.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.625 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.51 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 20.8 t80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.268 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.915 0 N-CA-C 111.045 -0.406 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.88 5.11 49.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.68 -17.53 35.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 108.269 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.22 -119.58 6.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.9 ptt85 -117.42 6.24 12.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.14 30.61 5.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.606 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 108.303 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.36 5.64 48.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.89 -18.65 32.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 108.263 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.91 -115.81 4.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.145 . . . . 0.0 110.986 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.08 6.54 15.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 0.759 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.99 29.43 6.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.61 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 19.6 t80 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 108.31 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.33 10.65 38.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.85 -18.36 44.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 108.262 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.38 -122.64 5.23 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 ptt85 -117.65 5.52 12.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.29 24.68 12.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.606 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.6 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 108.3 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.45 10.39 39.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.17 -18.96 40.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 108.349 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.08 -122.88 5.14 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.493 1.121 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.3 ptt-85 -118.59 5.85 11.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 110.372 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.86 23.8 13.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 109.585 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.7 t80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.97 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 2.7 mt-10 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 1' ' ' GLU . 0.6 OUTLIER 161.79 102.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 108.285 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.7 m -129.4 64.93 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 108.301 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PBF . . . . . 0.76 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.526 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.2 Cg_endo -75.02 0.53 8.8 Favored 'Trans proline' 0 C--N 1.357 1.019 0 O-C-N 124.315 1.692 . . . . 0.0 110.969 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.76 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -98.36 5.34 48.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.97 -20.13 24.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.326 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.22 -118.33 4.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -116.29 7.19 13.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 0.782 . . . . 0.0 110.34 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.31 23.26 14.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.537 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.546 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -68.33 81.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -118.42 134.1 55.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 108.323 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.627 ' O ' ' O ' ' A' ' 12' ' ' SER . 1.2 m 67.44 130.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 108.326 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.4 t -167.61 38.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.289 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PBF . . . . . 1.008 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.534 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.2 Cg_endo -75.06 0.4 8.98 Favored 'Trans proline' 0 C--N 1.357 1.017 0 O-C-N 124.326 1.698 . . . . 0.0 110.975 -178.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.008 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -101.74 9.09 41.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.52 -31.24 21.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 108.32 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 118.37 -113.68 2.67 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.19 6.32 15.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.71 19.64 20.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.592 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.599 ' CE1' ' SG ' ' A' ' 13' ' ' CYS . 6.3 t80 -69.42 115.7 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.627 ' O ' ' O ' ' A' ' 2' ' ' CYS . 1.9 m -119.75 121.64 39.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.978 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.599 ' SG ' ' CE1' ' A' ' 11' ' ' TYR . 66.8 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 108.273 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 6.9 tt0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 1' ' ' GLU . 0.8 OUTLIER 161.14 103.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 108.276 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.121 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 48.1 t -129.08 64.08 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 108.279 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PBF . . . . . 0.812 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.523 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.2 Cg_endo -75.07 0.55 8.8 Favored 'Trans proline' 0 C--N 1.357 0.99 0 O-C-N 124.33 1.7 . . . . 0.0 110.969 -178.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.812 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -98.87 6.61 46.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.61 -17.55 33.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.341 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.31 -121.38 5.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.0 ptt-85 -118.94 6.89 11.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 110.258 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.78 18.44 21.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 109.622 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -61.15 98.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.47 109.1 16.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.003 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.121 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.2 t . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 108.324 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 1.6 mm-40 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.601 ' O ' ' O ' ' A' ' 12' ' ' SER . 0.9 OUTLIER 159.45 124.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 108.279 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.8 t -161.6 41.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 108.277 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PBF . . . . . 1.013 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.4 Cg_endo -74.95 0.31 9.03 Favored 'Trans proline' 0 C--N 1.357 1.024 0 O-C-N 124.266 1.666 . . . . 0.0 111.022 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.013 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -101.48 8.89 41.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.22 -25.15 25.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 108.307 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.38 -114.66 3.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.558 1.161 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -115.8 6.82 14.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.85 23.63 14.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.587 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.599 ' CE1' ' SG ' ' A' ' 13' ' ' CYS . 5.6 t80 -73.27 117.04 14.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.601 ' O ' ' O ' ' A' ' 2' ' ' CYS . 0.2 OUTLIER -118.81 122.37 42.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.599 ' SG ' ' CE1' ' A' ' 11' ' ' TYR . 56.7 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 108.325 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 2.7 mt-10 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.527 ' O ' ' O ' ' A' ' 12' ' ' SER . 0.5 OUTLIER 162.75 102.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 108.28 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.227 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 50.7 t -129.68 67.59 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.306 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PBF . . . . . 1.029 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.553 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.3 Cg_endo -75.06 0.49 8.86 Favored 'Trans proline' 0 C--N 1.358 1.031 0 O-C-N 124.317 1.693 . . . . 0.0 110.986 -178.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.029 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -101.31 8.06 42.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.8 -21.32 26.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 108.289 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.73 -118.59 4.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.0 ptt-85 -117.47 6.69 12.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.757 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -109.32 20.66 18.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.56 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -71.29 98.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 111.031 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.527 ' O ' ' O ' ' A' ' 2' ' ' CYS . 91.8 p -118.09 124.76 48.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.227 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 108.266 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 5.3 tt0 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.731 ' O ' ' HB3' ' A' ' 13' ' ' CYS . 0.8 OUTLIER 159.92 126.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 108.323 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.24 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 16.7 t -141.76 65.61 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 108.289 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PBF . . . . . 0.805 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.553 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.3 Cg_endo -74.99 0.76 8.51 Favored 'Trans proline' 0 C--N 1.357 1.012 0 O-C-N 124.349 1.71 . . . . 0.0 110.987 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.805 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -100.09 6.92 44.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -87.47 -21.17 25.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 108.308 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.2 -122.35 5.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.05 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 -117.26 5.61 12.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -111.38 24.85 12.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.624 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.554 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -71.83 86.21 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 m -120.83 123.37 42.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.24 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 7.2 p . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 108.316 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 14.7 mm-40 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.466 ' O ' ' O ' ' A' ' 12' ' ' SER . 0.3 OUTLIER 164.04 103.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 108.289 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.422 ' HA ' ' HB2' ' A' ' 13' ' ' CYS . 16.9 t -130.35 68.48 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 108.312 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PBF . . . . . 0.734 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.1 Cg_endo -75.04 0.71 8.59 Favored 'Trans proline' 0 C--N 1.357 1.014 0 O-C-N 124.357 1.714 . . . . 0.0 110.973 -178.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.734 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -98.59 5.96 47.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.69 -17.06 32.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 108.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.69 -121.51 5.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -118.54 6.66 11.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.01 24.22 13.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.611 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.553 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 3.8 t80 -57.76 106.89 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.466 ' O ' ' O ' ' A' ' 2' ' ' CYS . 3.2 m -118.57 91.79 3.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 3' ' ' CYS . 18.5 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 108.31 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 1' ' ' GLU . 0.6 OUTLIER 161.95 114.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 108.326 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.1 t -136.37 66.7 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 108.29 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PBF . . . . . 0.844 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.541 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.3 Cg_endo -74.95 0.56 8.73 Favored 'Trans proline' 0 C--N 1.358 1.029 0 O-C-N 124.33 1.7 . . . . 0.0 111.034 -178.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.844 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -100.29 7.55 44.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.06 -28.32 24.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 108.304 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.28 -119.32 4.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.426 1.079 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.5 ptt-85 -114.04 6.64 16.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.28 21.19 17.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.617 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.54 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 3.2 t80 -65.55 108.42 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 2' ' ' CYS . 52.2 p -119.95 89.74 3.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 110.025 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 11' ' ' TYR . 1.3 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 108.289 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.535 ' O ' ' O ' ' A' ' 12' ' ' SER . 1.2 pp20? . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 70.53 113.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 108.303 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.4 t -139.93 61.06 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.272 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PBF . . . . . 0.809 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.532 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.3 Cg_endo -75.05 0.73 8.58 Favored 'Trans proline' 0 C--N 1.358 1.026 0 O-C-N 124.354 1.713 . . . . 0.0 110.999 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.809 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -99.42 6.72 45.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.76 -16.28 39.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 108.32 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.9 -118.83 5.41 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.8 ptt-85 -116.36 6.28 13.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 0.776 . . . . 0.0 110.263 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -107.48 29.61 7.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.585 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 7.0 t80 -71.64 99.21 2.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.535 ' O ' ' O ' ' A' ' 1' ' ' GLU . 62.8 m -122.39 88.86 3.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.7 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 108.319 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 12' ' ' SER . 3.6 mt-10 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.494 ' O ' ' O ' ' A' ' 12' ' ' SER . 0.8 OUTLIER 70.65 96.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.28 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.896 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 49.0 t -122.04 67.18 0.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 108.248 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PBF . . . . . 1.008 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.2 Cg_endo -75.06 0.75 8.55 Favored 'Trans proline' 0 C--N 1.358 1.035 0 O-C-N 124.377 1.725 . . . . 0.0 110.949 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.008 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -100.78 7.71 43.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.91 -29.15 25.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 108.266 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.75 -118.33 3.88 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.506 1.128 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.15 6.04 16.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 0.739 . . . . 0.0 110.323 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.4 23.22 14.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.578 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -66.88 96.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.494 ' O ' ' O ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -116.51 119.35 35.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.896 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 6.5 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 108.263 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.691 ' O ' ' O ' ' A' ' 12' ' ' SER . 6.6 mt-10 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 71.52 96.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 108.287 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 46.5 t -124.6 65.65 1.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 108.312 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PBF . . . . . 0.821 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.2 Cg_endo -75.01 0.59 8.73 Favored 'Trans proline' 0 C--N 1.357 1.024 0 O-C-N 124.371 1.722 . . . . 0.0 111.029 -178.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.821 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -99.4 6.91 45.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.71 -18.89 31.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 108.292 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.04 -119.92 5.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -116.21 8.11 14.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.306 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -109.08 27.03 9.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.631 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 6.9 t80 -67.07 98.87 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.691 ' O ' ' O ' ' A' ' 1' ' ' GLU . 2.7 m -121.46 99.3 6.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.016 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 24.4 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 108.343 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.665 ' O ' ' O ' ' A' ' 12' ' ' SER . 0.8 OUTLIER 159.64 110.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.283 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 48.8 t -155.28 38.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 108.307 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PBF . . . . . 0.888 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.514 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.3 Cg_endo -74.99 0.43 8.91 Favored 'Trans proline' 0 C--N 1.358 1.05 0 O-C-N 124.341 1.706 . . . . 0.0 110.99 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.888 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -100.78 8.24 43.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.22 -18.96 32.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 108.306 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.72 -115.01 4.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.73 7.32 13.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.782 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -109.19 32.41 4.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.633 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.598 ' CE2' ' SG ' ' A' ' 13' ' ' CYS . 1.9 t80 -75.5 118.97 18.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.665 ' O ' ' O ' ' A' ' 2' ' ' CYS . 45.1 t -122.07 114.72 21.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.598 ' SG ' ' CE2' ' A' ' 11' ' ' TYR . 33.4 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.283 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.292 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER 69.07 107.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 108.31 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.443 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 36.3 t -151.05 39.56 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 108.31 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PBF . . . . . 0.991 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.523 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.4 Cg_endo -74.98 0.5 8.82 Favored 'Trans proline' 0 C--N 1.357 1.024 0 O-C-N 124.307 1.688 . . . . 0.0 111.001 -178.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.991 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -99.71 7.31 45.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 1.292 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -82.72 -16.02 49.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 108.279 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.78 -114.68 5.09 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 ptt85 -114.34 6.23 16.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.22 31.05 4.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 109.619 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.679 ' CE2' ' C ' ' A' ' 4' ' ' PBF . 0.3 OUTLIER -73.71 106.9 5.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.503 ' O ' ' O ' ' A' ' 2' ' ' CYS . 2.2 m -118.33 94.84 4.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 12' ' ' SER . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 108.313 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 1' ' ' GLU . 0.1 OUTLIER 166.92 100.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 108.29 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.162 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.3 t -130.28 70.84 1.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 108.262 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PBF . . . . . 0.842 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.548 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.1 Cg_endo -75.02 0.45 8.9 Favored 'Trans proline' 0 C--N 1.357 1.011 0 O-C-N 124.398 1.736 . . . . 0.0 110.987 -178.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.842 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -99.82 7.1 45.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.01 -20.87 32.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 108.285 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.49 -122.27 4.98 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 ptt85 -121.91 5.98 9.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -108.86 15.4 23.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.598 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -52.87 98.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.7 t -118.63 119.56 34.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.162 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 108.288 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.425 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 2.3 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.612 ' O ' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER 165.26 101.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 108.334 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.4 t -130.87 69.0 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 108.253 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PBF . . . . . 0.742 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.57 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.1 Cg_endo -75.0 0.83 8.43 Favored 'Trans proline' 0 C--N 1.358 1.05 0 O-C-N 124.37 1.721 . . . . 0.0 111.01 -178.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.742 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -99.11 5.85 46.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.52 -12.16 43.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 108.249 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 103.03 -118.41 6.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.09 6.21 15.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.52 28.8 7.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.621 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.486 ' CE2' ' SG ' ' A' ' 13' ' ' CYS . 2.4 t80 -74.47 114.18 12.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.612 ' O ' ' O ' ' A' ' 2' ' ' CYS . 3.6 t -121.18 128.74 52.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.958 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.486 ' SG ' ' CE2' ' A' ' 11' ' ' TYR . 89.0 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.158 . . . . 0.0 108.294 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 13.5 pt-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 1' ' ' GLU . 0.1 OUTLIER 166.62 101.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 108.319 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.8 m -128.5 70.38 1.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 108.304 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PBF . . . . . 0.78 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.4 Cg_endo -74.99 0.59 8.72 Favored 'Trans proline' 0 C--N 1.357 1.023 0 O-C-N 124.322 1.696 . . . . 0.0 110.985 -178.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.78 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -97.36 5.14 50.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.59 -17.24 39.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 108.296 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.94 -122.39 5.62 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.8 ptt85 -119.81 6.78 10.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 0.0 110.291 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -108.07 26.54 10.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.625 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.51 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 20.8 t80 -57.93 100.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 m -118.41 112.5 20.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.944 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 108.348 179.938 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 167.74 100.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 108.272 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m -128.69 72.1 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.268 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PBF . . . . . 0.773 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.553 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.5 Cg_endo -74.98 0.7 8.58 Favored 'Trans proline' 0 C--N 1.358 1.027 0 O-C-N 124.332 1.701 . . . . 0.0 111.045 -178.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.773 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -97.88 5.11 49.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.68 -17.53 35.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 108.269 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.22 -119.58 6.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.9 ptt85 -117.42 6.24 12.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.14 30.61 5.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.606 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.497 ' CE2' ' C ' ' A' ' 4' ' ' PBF . 3.5 t80 -62.43 119.54 9.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.46 87.49 2.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 108.29 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.446 ' O ' ' HB3' ' A' ' 13' ' ' CYS . 0.1 OUTLIER 166.18 104.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 108.31 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.152 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 5.7 t -132.62 69.74 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 108.303 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PBF . . . . . 0.756 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.545 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.2 Cg_endo -75.04 0.66 8.65 Favored 'Trans proline' 0 C--N 1.358 1.038 0 O-C-N 124.304 1.687 . . . . 0.0 111.01 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.756 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -98.36 5.64 48.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.89 -18.65 32.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 108.263 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.91 -115.81 4.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.145 . . . . 0.0 110.986 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.08 6.54 15.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 0.759 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.99 29.43 6.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.61 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 19.6 t80 -70.81 80.58 0.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 t -119.77 123.2 43.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.016 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.152 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 30.4 p . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 108.346 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.447 ' O ' ' O ' ' A' ' 12' ' ' SER . 0.4 OUTLIER 163.91 104.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 108.325 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 t -147.43 47.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 108.31 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PBF . . . . . 1.027 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.5 Cg_endo -74.99 0.44 8.9 Favored 'Trans proline' 0 C--N 1.358 1.034 0 O-C-N 124.35 1.71 . . . . 0.0 110.976 -178.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.027 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -102.33 10.65 38.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.85 -18.36 44.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 108.262 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.38 -122.64 5.23 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 ptt85 -117.65 5.52 12.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.29 24.68 12.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.606 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -51.12 111.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.447 ' O ' ' O ' ' A' ' 2' ' ' CYS . 31.0 t -117.8 162.64 17.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 108.305 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER 164.73 101.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 108.329 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.3 t -142.17 52.81 1.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 108.3 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PBF . . . . . 1.031 ' CE1' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.524 ' HD2' ' HB3' ' A' ' 4' ' ' PBF . 18.4 Cg_endo -74.99 0.56 8.75 Favored 'Trans proline' 0 C--N 1.357 1.016 0 O-C-N 124.297 1.683 . . . . 0.0 110.998 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.031 ' HB3' ' CE1' ' A' ' 4' ' ' PBF . . . -102.45 10.39 39.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.17 -18.96 40.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 108.349 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.08 -122.88 5.14 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.493 1.121 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.3 ptt-85 -118.59 5.85 11.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 110.372 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.86 23.8 13.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 109.585 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -48.4 115.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.458 ' O ' ' O ' ' A' ' 2' ' ' CYS . 2.3 t -118.17 163.32 16.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.022 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 108.275 179.966 . . . . . . . . 1 1 . 1 stop_ save_