data_2jsj_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 2jsj _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 ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -43.79 -45.69 7.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.586 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.62 60.19 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.33 91.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 0.761 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.584 ' O ' ' CD2' ' A' ' 5' ' ' PHE . 18.0 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 4' ' ' PRO . 1.7 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 111.046 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 20' ' ' GLY . 8.3 tt0 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.03 -77.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 109.608 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . 119.29 59.28 0.26 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -34.8 106.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.451 -0.375 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.11 -77.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.48 1.112 . . . . 0.0 109.557 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 134.74 -54.99 0.74 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.21 -68.08 0.2 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.493 0.76 . . . . 0.0 110.34 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 179.931 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.848 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' GLY . 16.2 tt0 . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.05 -77.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.589 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 138.07 -55.16 0.68 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 39.1 47.37 1.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.777 . . . . 0.0 110.357 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.228 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.922 0 N-CA-C 110.994 -0.425 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 20' ' ' GLY . 3.6 tp60 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.1 -77.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.62 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 149.9 -58.57 0.45 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 66.96 141.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.412 0.713 . . . . 0.0 110.294 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.905 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 111.039 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' GLY . 17.6 tp60 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 63.91 -77.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.075 . . . . 0.0 109.635 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 147.78 82.88 0.04 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.07 91.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.769 . . . . 0.0 110.253 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -43.37 -39.07 2.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.582 1.176 . . . . 0.0 109.588 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.51 -46.62 1.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.44 101.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.5 0.765 . . . . 0.0 110.334 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.415 1.072 . . . . 0.0 109.329 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 111.043 -0.406 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' GLY . 14.6 tt0 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.05 -77.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.65 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 57.4 52.35 52.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.458 1.099 . . . . 0.0 111.068 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.61 168.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 110.263 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 180.0 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.034 -0.41 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.99 -86.2 0.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.579 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.47 52.75 3.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.35 134.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 0.793 . . . . 0.0 110.293 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 109.292 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 111.007 -0.421 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.9 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 110.959 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' GLY . 8.1 tt0 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 63.99 -77.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 165.56 -65.82 0.21 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.55 117.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.586 0.815 . . . . 0.0 110.241 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 179.954 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.859 0 N-CA-C 110.958 -0.439 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.642 ' CZ ' ' NE2' ' A' ' 19' ' ' HIS . 5.9 m-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 111.059 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.7 tt0 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.642 ' NE2' ' CZ ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER 64.09 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.56 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 21' ' ' ARG . . . -134.93 -81.69 0.15 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.513 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 156.3 -34.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 0.771 . . . . 0.0 110.248 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.18 . . . . 0.0 109.28 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.815 0 N-CA-C 110.966 -0.436 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 20' ' ' GLY . 3.0 tt0 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.01 -77.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.625 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 160.79 -57.29 0.31 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.423 1.077 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.94 136.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 110.241 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.833 0 N-CA-C 111.052 -0.403 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.429 1.081 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.03 -77.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.611 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 21' ' ' ARG . . . -174.32 -57.41 0.05 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.13 . . . . 0.0 110.982 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.542 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.3 OUTLIER 155.45 90.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 0.783 . . . . 0.0 110.298 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.534 ' O ' ' CG ' ' A' ' 5' ' ' PHE . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 4' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -40.89 -43.42 2.06 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.579 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . 128.94 92.29 0.69 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.436 1.085 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' GLY . 6.4 ttt180 -34.93 130.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.791 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.128 . . . . 0.0 109.344 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.827 0 N-CA-C 110.986 -0.428 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.42 ' O ' ' O ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 18' ' ' GLN . 15.2 m170 43.27 -167.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.112 . . . . 0.0 109.543 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 135.56 -17.08 4.01 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 54.98 95.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 110.338 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.935 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.27 -82.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.59 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.491 ' O ' ' CG ' ' A' ' 21' ' ' ARG . . . -71.67 -68.89 1.5 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' A' ' 20' ' ' GLY . 37.4 ptt85 44.82 -168.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.462 ' O ' ' CD2' ' A' ' 5' ' ' PHE . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.462 ' CD2' ' O ' ' A' ' 4' ' ' PRO . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -98.35 -88.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.568 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.521 ' O ' ' CB ' ' A' ' 21' ' ' ARG . . . 144.42 -49.78 0.68 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.044 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 156.07 142.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.764 . . . . 0.0 110.362 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.837 0 N-CA-C 110.958 -0.439 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -40.18 -82.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.629 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.51 ' O ' ' CD ' ' A' ' 21' ' ' ARG . . . 69.07 52.22 24.48 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.428 1.08 . . . . 0.0 111.038 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 20' ' ' GLY . 0.3 OUTLIER 168.43 167.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 0.805 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.925 0 N-CA-C 111.032 -0.411 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.01 -77.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.612 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . 166.47 65.98 0.03 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -34.75 113.43 0.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 0.784 . . . . 0.0 110.308 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.933 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.93 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.506 ' O ' ' CG ' ' A' ' 18' ' ' GLN . 9.8 tt0 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.326 -0.249 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -67.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.612 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 161.08 -63.26 0.28 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.536 1.147 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.89 111.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 110.369 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.17 . . . . 0.0 109.3 -179.991 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.463 ' O ' ' CG ' ' A' ' 5' ' ' PHE . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.949 -0.443 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.463 ' CG ' ' O ' ' A' ' 4' ' ' PRO . 9.5 m-85 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 18' ' ' GLN . 7.3 tm0? . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.99 -83.99 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.597 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . 167.12 65.21 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.093 . . . . 0.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' GLY . 1.8 mmt-85 -34.89 124.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 0.796 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.992 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.951 -0.442 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 179.939 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -79.44 -92.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.64 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -172.97 -50.99 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.57 1.169 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 56.42 163.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 110.388 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 -179.961 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 5' ' ' PHE . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.949 0 N-CA-C 110.975 -0.433 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -84.01 -72.44 0.46 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.574 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 21' ' ' ARG . . . 140.56 -47.37 0.88 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.586 1.178 . . . . 0.0 111.024 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.533 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER 154.81 96.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 0.797 . . . . 0.0 110.273 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.966 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 110.96 -0.438 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.944 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.3 -74.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.618 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.508 ' O ' ' CD ' ' A' ' 21' ' ' ARG . . . 161.16 -67.35 0.25 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.448 1.093 . . . . 0.0 111.043 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.508 ' CD ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 157.84 108.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.34 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.988 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.816 0 N-CA-C 110.938 -0.447 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 111.07 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -170.19 -77.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.49 1.119 . . . . 0.0 109.566 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 22' ' ' ALA . . . 154.9 -57.21 0.4 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 68.93 -63.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.751 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 20' ' ' GLY . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.942 -0.445 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.2 -56.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.614 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.22 69.11 1.44 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.26 120.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 0.0 110.272 179.931 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.998 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.997 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' GLY . 3.8 tm0? . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.06 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.585 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . 83.9 77.92 1.12 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 20' ' ' GLY . 10.4 ptt180 -34.85 127.65 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 0.787 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.978 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.913 0 N-CA-C 110.931 -0.45 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.96 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.09 -77.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.59 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 68.86 63.73 3.36 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' GLY . 19.4 ttp180 -34.93 108.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 110.282 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -180.0 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.835 0 N-CA-C 110.955 -0.44 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.599 1.187 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.97 -45.15 67.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.627 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . 57.57 34.04 68.48 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 39.16 -160.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 0.792 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 21' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 . . . . . 0 N--CA 1.451 -0.38 0 CA-C-O 120.562 0.22 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 48.9 t30 177.49 93.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -131.08 73.59 80.62 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -15.04 21.07 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.443 1.759 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -119.48 178.63 4.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.418 ' OD1' ' CG2' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -119.24 -1.02 10.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.7 t -70.24 60.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 145.27 44.98 0.04 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.469 HG12 ' CB ' ' A' ' 12' ' ' SER . 2.6 tp -94.74 22.36 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.753 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 9' ' ' ILE . 2.0 mttp 39.32 70.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.368 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 13' ' ' GLY . 0.7 OUTLIER 76.18 -84.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.469 ' CB ' HG12 ' A' ' 9' ' ' ILE . 0.7 OUTLIER 38.77 31.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -37.2 -31.22 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 12' ' ' SER . . . -40.9 -90.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.551 ' HG3' ' CD2' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -108.84 -145.9 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.551 ' CD2' ' HG3' ' A' ' 15' ' ' GLN . 9.2 p90 -128.86 -40.75 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.422 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 51.6 mt-30 -128.9 4.16 5.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 110.351 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 38.99 58.06 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.317 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -43.79 -45.69 7.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.586 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.62 60.19 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.33 91.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 0.761 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -172.77 106.66 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 mt 40.74 77.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.517 0.199 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -119.04 -41.56 2.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -176.1 156.12 1.57 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.584 ' O ' ' CD2' ' A' ' 5' ' ' PHE . 18.0 Cg_endo -74.98 -22.24 15.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.532 1.806 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 4' ' ' PRO . 1.7 m-85 176.26 79.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 111.046 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.492 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 45.8 t0 -172.79 172.23 4.17 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 109.225 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 6' ' ' ASP . 10.3 m 49.13 23.82 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.38 41.94 0.23 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.115 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mp -77.04 99.27 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -123.72 33.34 5.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -172.32 -61.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -47.86 106.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.971 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.99 64.99 2.65 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.09 -98.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 0.752 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.519 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -115.07 -146.8 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.073 . . . . 0.0 110.281 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.519 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 2.4 p90 -128.22 -40.4 1.65 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -128.6 3.94 5.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 20' ' ' GLY . 8.3 tt0 39.87 44.9 1.45 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.52 1.137 . . . . 0.0 110.268 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.03 -77.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 109.608 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . 119.29 59.28 0.26 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -34.8 106.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 42.05 90.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.5 mt -51.07 104.4 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.419 0 O-C-N 124.394 1.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.512 0.196 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.95 -45.74 93.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -176.89 166.15 1.43 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 0.0 109.244 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -21.1 16.25 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.464 1.771 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -116.42 -171.32 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.437 ' CA ' HD12 ' A' ' 9' ' ' ILE . 1.3 m-20 -125.19 -89.87 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 p 41.08 81.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.353 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.9 40.87 0.43 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.437 HD12 ' CA ' ' A' ' 6' ' ' ASP . 4.3 mp -141.29 80.12 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 109.257 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -63.65 -161.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 12' ' ' SER . 12.8 mt -40.45 101.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.583 1.177 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER 159.19 -25.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 110.027 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.14 -94.12 2.27 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 0.0 111.059 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -171.97 -93.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 0.732 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -110.81 -146.59 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -128.54 -40.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 111.043 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -128.63 3.82 5.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.231 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.5 OUTLIER 40.47 61.29 1.64 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.11 -77.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.48 1.112 . . . . 0.0 109.557 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 134.74 -54.99 0.74 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.21 -68.08 0.2 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.493 0.76 . . . . 0.0 110.34 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.66 133.37 55.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 pp -131.39 144.06 50.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 3' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.579 0.228 . . . . 0.0 111.046 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 60.6 -84.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 1' ' ' PHE . . . 67.04 156.07 0.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 89.32 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.596 1.84 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.441 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 0.3 OUTLIER -41.35 104.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 0.0 110.959 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' A' ' 5' ' ' PHE . 3.2 t0 159.99 86.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.8 t -100.58 70.46 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.63 28.18 36.41 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.583 1.177 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.6 mt -102.8 120.79 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -116.85 65.12 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 69.15 45.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.359 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.56 -8.66 17.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.933 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.17 -66.85 0.56 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -143.91 -93.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.529 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -116.26 -141.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.529 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 2.9 p90 -133.5 89.91 2.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 54.01 16.61 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' GLY . 16.2 tt0 39.47 59.9 1.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.05 -77.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.589 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 138.07 -55.16 0.68 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 39.1 47.37 1.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.777 . . . . 0.0 110.357 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.21 -60.03 2.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.228 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -163.57 -54.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.6 t80 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.559 0.219 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.55 -45.55 1.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 58.74 158.58 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 166.2 29.6 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.475 1.777 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -108.27 87.76 2.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -118.55 61.76 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.8 m -101.92 95.62 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.23 44.22 3.57 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.502 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 2.5 tp -65.38 110.69 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.79 . . . . 0.0 109.383 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.487 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 1.1 mtpm? -100.52 56.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER 174.88 -36.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -100.9 20.43 15.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.998 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.412 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -63.74 75.32 0.05 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' SER . . . -134.44 -81.93 0.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 0.807 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.567 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -115.03 -141.36 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.567 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 2.8 p90 -133.21 89.65 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 54.01 16.61 1.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 20' ' ' GLY . 3.6 tp60 39.83 57.3 2.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.1 -77.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.62 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 149.9 -58.57 0.45 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 66.96 141.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.412 0.713 . . . . 0.0 110.294 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -130.59 146.39 52.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.77 78.75 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 109.309 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.576 1.173 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.509 0.195 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.8 p30 178.59 90.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 0.0 109.257 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.409 ' N ' ' HD3' ' A' ' 4' ' ' PRO . . . -178.02 64.48 0.18 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 18.3 Cg_endo -74.97 59.34 5.14 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.354 1.713 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -151.02 54.3 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.22 94.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.0 m -136.49 13.31 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 9' ' ' ILE . . . 85.31 -44.14 3.33 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 8' ' ' GLY . 3.4 mp 56.0 105.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 0.729 . . . . 0.0 109.364 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.86 122.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 mp 49.98 61.12 3.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.76 103.46 14.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 14' ' ' ALA . . . -92.19 -30.54 9.99 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 13' ' ' GLY . . . 162.3 124.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.743 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.421 ' CD ' ' CB ' ' A' ' 18' ' ' GLN . 14.2 mp0 -60.32 -129.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -135.26 -42.35 0.71 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 19' ' ' HIS . 54.4 mt-30 -116.14 4.3 13.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' GLY . 17.6 tp60 -69.19 61.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER 63.91 -77.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.075 . . . . 0.0 109.635 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 147.78 82.88 0.04 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.07 91.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.769 . . . . 0.0 110.253 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.66 -60.62 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.8 mt -42.96 138.68 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.275 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.403 1.064 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.471 0.177 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -140.64 91.01 2.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 42.06 66.73 3.8 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -22.42 14.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 40.73 88.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.44 53.85 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.8 p -113.86 81.74 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.361 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 152.36 -40.21 0.74 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mp -48.9 100.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 tttm -90.78 -149.59 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.249 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.18 -18.64 64.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.91 -7.86 43.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.78 -76.15 1.32 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.439 1.087 . . . . 0.0 111.04 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -179.37 -85.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 0.729 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.543 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -116.53 -140.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.221 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.543 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 2.6 p90 -133.53 89.83 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? 53.07 17.5 0.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.53 0.92 15.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.426 1.078 . . . . 0.0 110.282 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -43.37 -39.07 2.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.582 1.176 . . . . 0.0 109.588 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.51 -46.62 1.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.44 101.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.5 0.765 . . . . 0.0 110.334 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.11 172.28 13.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.415 1.072 . . . . 0.0 109.329 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.76 72.26 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.525 0.202 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -173.85 -40.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.43 158.79 45.48 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -89.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.465 1.771 . . . . 0.0 111.043 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 37.81 79.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.5 t70 68.8 90.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.3 m -86.32 67.57 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' LYS . . . 37.83 38.14 0.47 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 8' ' ' GLY . 1.9 mp -40.55 98.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 109.281 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -45.45 99.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 12' ' ' SER . 0.2 OUTLIER 75.89 75.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.369 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER 158.51 -25.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.958 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.479 ' O ' ' CB ' ' A' ' 14' ' ' ALA . . . -95.25 -131.73 6.62 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 13' ' ' GLY . . . 164.81 -90.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.497 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -116.8 -141.17 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 110.283 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.497 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 2.9 p90 -133.55 89.98 2.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 53.9 16.66 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.349 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' GLY . 14.6 tt0 40.09 57.69 2.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.05 -77.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.65 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 57.4 52.35 52.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.458 1.099 . . . . 0.0 111.068 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.61 168.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 110.263 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.29 64.5 1.18 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -71.87 125.75 27.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.49 0.186 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -82.02 69.47 8.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.374 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.29 156.4 38.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 158.72 41.86 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.481 1.779 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 67.5 8.77 6.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.402 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -138.51 -166.73 2.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 6' ' ' ASP . 24.3 m 42.93 60.22 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 10' ' ' LYS . . . 165.14 -29.15 0.21 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.42 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 4.3 tp -60.41 86.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 0.741 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -89.82 144.07 26.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 12' ' ' SER . 5.0 mp 44.47 79.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER 158.36 -25.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.005 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.11 -116.18 3.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -175.64 -84.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 0.772 . . . . 0.0 109.323 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.531 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -116.47 -141.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.266 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.531 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 2.9 p90 -133.41 89.75 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 53.19 17.38 0.98 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.11 0.45 16.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.99 -86.2 0.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.579 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.47 52.75 3.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.438 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 0.0 OUTLIER 73.35 134.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 0.793 . . . . 0.0 110.293 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.6 -64.9 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 21' ' ' ARG . 18.1 mt 44.19 90.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.491 0.186 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.3 p30 168.55 124.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.405 ' N ' ' HD3' ' A' ' 4' ' ' PRO . . . -156.41 65.11 3.84 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.451 ' CG ' HG23 ' A' ' 7' ' ' VAL . 18.5 Cg_endo -74.91 -23.59 13.85 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.549 1.815 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.478 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 15.9 t80 48.13 77.87 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 5' ' ' PHE . 1.1 m-20 157.53 -25.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.451 HG23 ' CG ' ' A' ' 4' ' ' PRO . 42.6 t -70.12 59.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 146.51 45.26 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.411 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 3.2 tp -100.33 73.52 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 0.0 109.295 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -86.37 78.36 9.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 12' ' ' SER . 0.3 OUTLIER 64.57 105.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 0.9 OUTLIER 158.43 -25.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.41 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -106.81 -101.82 2.75 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -176.68 -88.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 0.766 . . . . 0.0 109.293 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.516 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -116.37 -141.17 0.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.312 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.516 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 3.0 p90 -133.58 89.93 2.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 54.01 16.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' GLY . 8.1 tt0 40.13 58.15 2.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 63.99 -77.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 165.56 -65.82 0.21 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.55 117.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.586 0.815 . . . . 0.0 110.241 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.37 142.63 51.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 pp -142.67 93.25 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.486 0.184 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 3' ' ' ALA . 8.5 m-80 -42.36 -43.09 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' ASN . . . 40.47 79.29 0.33 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.238 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -177.31 3.39 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.481 1.779 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.642 ' CZ ' ' NE2' ' A' ' 19' ' ' HIS . 5.9 m-85 -120.94 -0.8 9.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 111.059 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 5' ' ' PHE . 3.7 t0 161.02 79.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.8 p -115.78 40.13 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.05 7.81 40.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.467 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 5.5 tt -40.54 101.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 109.342 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -111.44 30.54 6.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tp -147.19 22.68 1.19 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 t -95.9 107.89 20.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.04 71.06 0.21 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.595 1.185 . . . . 0.0 110.977 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.71 -99.28 0.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 0.754 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.53 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -116.85 -140.91 0.37 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.53 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 2.9 p90 -133.51 89.84 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 53.19 17.37 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.7 tt0 -78.01 3.76 13.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.642 ' NE2' ' CZ ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER 64.09 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.56 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 21' ' ' ARG . . . -134.93 -81.69 0.15 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.513 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 156.3 -34.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 0.771 . . . . 0.0 110.248 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 71.59 -62.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.18 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 mt -54.46 97.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.471 0.177 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 176.88 139.74 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.03 165.28 3.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.96 4.74 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.533 1.807 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -150.73 58.7 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.5 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 1.5 p30 -160.11 -176.71 5.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 6' ' ' ASP . 27.4 m 47.16 25.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -158.45 25.01 0.38 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 mp -148.93 130.3 5.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.412 0.713 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 12' ' ' SER . 4.8 ttmm -73.09 59.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' ALA . 3.7 mp 68.22 -69.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.599 1.187 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 10' ' ' LYS . 27.8 t 43.8 -100.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.53 ' O ' ' CB ' ' A' ' 14' ' ' ALA . . . -117.28 41.78 2.01 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 13' ' ' GLY . . . 161.47 128.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 0.74 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.598 ' OE1' ' CD1' ' A' ' 16' ' ' TYR . 3.0 tt0 -60.58 -137.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.598 ' CD1' ' OE1' ' A' ' 15' ' ' GLN . 1.4 p90 -131.47 -39.7 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -129.99 4.75 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.354 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 20' ' ' GLY . 3.0 tt0 38.99 64.5 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.312 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.01 -77.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.625 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 160.79 -57.29 0.31 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.423 1.077 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.94 136.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 110.241 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -154.71 62.08 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 pp -77.47 143.54 38.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.366 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 2' ' ' ASN . 46.2 p90 . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.53 0.205 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.486 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 2.0 m-20 -94.89 87.94 5.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.366 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.472 ' N ' ' CD ' ' A' ' 4' ' ' PRO . . . 165.71 -53.97 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 3' ' ' ALA . 18.4 Cg_endo -74.94 177.03 9.1 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.484 1.781 . . . . 0.0 111.052 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.512 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 0.4 OUTLIER 58.47 96.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.429 1.081 . . . . 0.0 110.939 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER 155.5 -24.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.2 m -87.16 11.21 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.13 30.78 0.22 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.472 ' CD1' ' CE2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -109.4 112.4 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -96.54 132.98 41.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 tp 43.32 56.75 4.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.1 m -166.3 31.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 14' ' ' ALA . . . -97.28 -97.28 1.93 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 13' ' ' GLY . . . 84.0 -65.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.731 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.562 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -128.78 -138.4 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.562 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 3.1 p90 -135.08 90.85 2.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 52.31 17.9 0.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.344 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.5 OUTLIER -74.85 0.22 16.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.03 -77.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.611 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 21' ' ' ARG . . . -174.32 -57.41 0.05 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.13 . . . . 0.0 110.982 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.542 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.3 OUTLIER 155.45 90.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 0.783 . . . . 0.0 110.298 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -169.56 -62.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.9 mt -89.4 173.43 8.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.449 0.166 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 3' ' ' ALA . 4.5 t-20 -132.14 -153.23 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.491 ' N ' ' CD ' ' A' ' 4' ' ' PRO . . . 164.61 -53.27 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.27 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.534 ' O ' ' CG ' ' A' ' 5' ' ' PHE . 18.2 Cg_endo -75.02 -89.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.407 1.74 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 4' ' ' PRO . 0.3 OUTLIER 161.86 -25.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -157.02 -156.36 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.36 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.3 t 75.86 12.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.599 1.187 . . . . 0.0 109.291 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.37 32.63 0.16 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 tp -87.17 83.27 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.757 . . . . 0.0 109.261 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 12' ' ' SER . 6.5 tttp 49.37 -162.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.67 64.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.356 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -85.15 102.83 13.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.67 80.09 0.27 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 174.87 -94.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.426 0.721 . . . . 0.0 109.296 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.548 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -116.03 -141.03 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.548 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 2.8 p90 -133.36 89.71 2.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.075 . . . . 0.0 110.997 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 53.17 17.38 0.96 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.78 0.22 16.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -40.89 -43.42 2.06 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.579 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . 128.94 92.29 0.69 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.436 1.085 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' GLY . 6.4 ttt180 -34.93 130.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.791 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.99 99.27 9.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.128 . . . . 0.0 109.344 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.6 mt -48.81 114.54 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.513 0.197 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -100.86 -36.37 9.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -174.31 163.28 2.77 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.585 1.178 . . . . 0.0 109.236 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -178.09 3.93 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.414 1.744 . . . . 0.0 110.986 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -107.26 -161.97 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -172.09 92.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.1 m -87.01 94.1 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.47 49.54 0.7 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.472 1.107 . . . . 0.0 110.947 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.482 ' CG2' ' N ' ' A' ' 10' ' ' LYS . 1.5 tp -89.45 -168.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 0.794 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.482 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 0.6 OUTLIER 62.48 128.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 69.25 -73.34 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.65 15.27 8.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.034 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 14' ' ' ALA . . . -103.43 -56.15 0.78 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.53 1.143 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 13' ' ' GLY . . . 84.1 -66.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.565 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -128.73 -138.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.287 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.565 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 3.2 p90 -135.11 90.76 2.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.461 1.101 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 52.45 17.8 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.42 ' O ' ' O ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -74.9 0.31 16.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 18' ' ' GLN . 15.2 m170 43.27 -167.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.112 . . . . 0.0 109.543 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 135.56 -17.08 4.01 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 54.98 95.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 110.338 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 58.3 162.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 mp 40.66 86.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.572 0.225 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 41.2 62.81 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.66 88.22 0.29 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 57.36 4.51 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.478 1.778 . . . . 0.0 111.028 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -112.91 177.03 4.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -110.51 86.0 2.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.8 m -127.19 84.21 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 109.337 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.93 39.09 2.06 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.491 1.12 . . . . 0.0 111.02 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.445 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 6.4 tp -116.24 100.89 11.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.458 0.74 . . . . 0.0 109.356 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 12' ' ' SER . 0.3 OUTLIER -66.08 -163.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.372 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.544 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -36.25 98.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER 165.72 -29.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.499 ' O ' ' CB ' ' A' ' 14' ' ' ALA . . . -92.1 -57.59 1.47 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 13' ' ' GLY . . . 84.18 -65.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 0.727 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.554 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -128.67 -138.35 0.23 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.554 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 3.2 p90 -135.14 90.78 2.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.405 1.066 . . . . 0.0 111.047 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 52.38 17.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -74.77 0.15 16.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 110.291 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.27 -82.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.59 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.491 ' O ' ' CG ' ' A' ' 21' ' ' ARG . . . -71.67 -68.89 1.5 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' A' ' 20' ' ' GLY . 37.4 ptt85 44.82 -168.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 66.2 111.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.47 -51.25 0.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.556 0.217 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 65.05 81.49 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 44.42 81.35 0.26 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 0.0 109.299 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.462 ' O ' ' CD2' ' A' ' 5' ' ' PHE . 18.2 Cg_endo -74.94 79.74 2.58 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.537 1.809 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.462 ' CD2' ' O ' ' A' ' 4' ' ' PRO . 0.6 OUTLIER 173.27 -168.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -115.41 74.12 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.2 t -129.82 52.19 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.95 23.12 5.07 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.542 ' CD1' ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -143.82 165.05 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 109.225 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 12' ' ' SER . 10.4 tttp 41.62 -143.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.249 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.548 ' O ' ' CB ' ' A' ' 12' ' ' SER . 0.3 OUTLIER -39.91 -29.86 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 2.6 p 89.19 -21.68 0.13 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 12' ' ' SER . . . 33.17 91.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' GLY . . . -38.7 -76.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -85.98 -130.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.331 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.6 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -138.24 91.35 2.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 51.31 18.76 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.403 ' N ' ' C ' ' A' ' 16' ' ' TYR . 36.0 tt0 40.25 52.93 2.86 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.488 1.118 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -98.35 -88.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.568 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.521 ' O ' ' CB ' ' A' ' 21' ' ' ARG . . . 144.42 -49.78 0.68 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.044 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 156.07 142.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.764 . . . . 0.0 110.362 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.56 113.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.62 -66.22 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.532 0.206 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -89.57 86.01 6.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.5 114.39 47.19 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 134.57 17.82 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.511 1.795 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.533 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 10.7 t80 -113.4 95.09 5.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER 153.61 -22.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.344 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 m -70.07 56.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' ASP . . . 151.02 45.05 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.469 HG12 ' CB ' ' A' ' 12' ' ' SER . 0.7 OUTLIER -136.51 105.7 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 109.282 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.82 162.14 13.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mp 40.67 43.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.469 ' CB ' HG12 ' A' ' 9' ' ' ILE . 1.6 p -116.49 107.76 15.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.962 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 14' ' ' ALA . . . -63.55 75.62 0.04 OUTLIER Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 13' ' ' GLY . . . 163.14 121.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.406 0.709 . . . . 0.0 109.275 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -69.78 -116.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.466 ' HB3' ' CB ' ' A' ' 6' ' ' ASP . 2.8 p90 -145.34 93.74 2.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 111.052 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 49.0 20.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 110.311 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 16' ' ' TYR . 51.4 tt0 39.61 58.7 1.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -40.18 -82.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.629 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.51 ' O ' ' CD ' ' A' ' 21' ' ' ARG . . . 69.07 52.22 24.48 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.428 1.08 . . . . 0.0 111.038 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 20' ' ' GLY . 0.3 OUTLIER 168.43 167.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 0.805 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.8 -57.51 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.0 mt 44.35 81.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.574 0.226 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 5' ' ' PHE . 1.5 m-20 -161.23 119.76 2.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.468 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . . . -78.98 -55.19 0.97 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.385 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.468 ' HD3' ' CB ' ' A' ' 3' ' ' ALA . 18.2 Cg_endo -75.02 -14.19 21.17 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.483 1.781 . . . . 0.0 111.032 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.472 ' CB ' ' HB3' ' A' ' 2' ' ' ASN . 0.2 OUTLIER -116.84 153.32 32.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.956 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.598 ' OD1' ' CD1' ' A' ' 16' ' ' TYR . 1.6 t70 -113.23 -16.22 12.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' ASP . 1.6 t 39.98 65.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 149.81 45.24 0.03 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.429 ' CD1' ' HB3' ' A' ' 6' ' ' ASP . 20.2 mt -98.42 113.52 33.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.457 0.739 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 11' ' ' LEU . 7.7 mttt -164.25 79.19 0.38 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.408 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER 81.23 80.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.7 p -140.07 103.58 4.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.944 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.17 76.63 1.92 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.467 1.104 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 64.64 111.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -163.85 -43.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.598 ' CD1' ' OD1' ' A' ' 6' ' ' ASP . 39.7 p90 -134.87 -43.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.036 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.522 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 1.1 mt-30 -142.13 14.65 2.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.399 1.062 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER 38.72 60.42 1.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.01 -77.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.612 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . 166.47 65.98 0.03 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -34.75 113.43 0.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 0.784 . . . . 0.0 110.308 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 47.04 93.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.4 mt -46.72 -63.16 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.237 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.403 1.064 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.509 0.195 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 3' ' ' ALA . 4.7 m-20 -53.58 -41.04 66.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 2' ' ' ASN . . . 168.22 160.33 0.16 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -22.16 15.08 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.495 1.787 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 46.32 94.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.421 ' HB3' ' CD2' ' A' ' 19' ' ' HIS . 1.2 m-20 -134.18 82.44 1.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.6 m -137.24 57.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 159.37 49.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.565 1.166 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mp -135.04 57.0 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 109.309 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 mptt 43.78 -165.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.97 53.68 2.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.5 t -100.54 -8.7 22.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 110.003 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.86 -137.43 7.45 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.65 -47.05 0.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.333 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -167.02 -40.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 18' ' ' GLN . 2.4 p90 -144.32 -135.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 111.076 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.493 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 72.1 mt-30 -59.44 -6.63 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.57 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 9.8 tt0 -79.56 62.16 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.602 1.189 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.421 ' CD2' ' HB3' ' A' ' 6' ' ' ASP . 0.0 OUTLIER -60.87 -67.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.612 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 161.08 -63.26 0.28 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.536 1.147 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.89 111.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 110.369 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -172.19 95.33 0.15 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.17 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.62 176.12 5.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.516 ' CE2' ' HB2' ' A' ' 2' ' ' ASN . 20.5 p90 . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.542 0.211 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.516 ' HB2' ' CE2' ' A' ' 1' ' ' PHE . 0.9 OUTLIER -125.1 -44.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -162.11 85.51 1.57 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.463 ' O ' ' CG ' ' A' ' 5' ' ' PHE . 18.2 Cg_endo -75.03 111.19 3.27 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.437 1.756 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.463 ' CG ' ' O ' ' A' ' 4' ' ' PRO . 9.5 m-85 -167.77 49.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.498 ' OD2' ' CB ' ' A' ' 15' ' ' GLN . 0.6 OUTLIER -128.41 66.11 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.916 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.4 m -126.67 77.24 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.424 1.078 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 134.58 46.51 0.1 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 11' ' ' LEU . 1.4 tp -150.21 116.6 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 0.757 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 11' ' ' LEU . 2.1 mttp -70.17 61.01 0.2 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER 40.29 87.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.384 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -151.52 -60.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.23 75.23 0.37 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.409 ' CB ' HG23 ' A' ' 9' ' ' ILE . . . -158.71 -77.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.763 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.498 ' CB ' ' OD2' ' A' ' 6' ' ' ASP . 3.0 tp-100 -157.71 -95.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.395 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.418 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 0.1 OUTLIER 174.52 -31.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 110.988 179.943 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 19' ' ' HIS . 86.6 mt-30 -74.05 1.29 11.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' A' ' 6' ' ' ASP . 7.3 tm0? -63.46 76.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.313 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -128.99 -83.99 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.597 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . 167.12 65.21 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.093 . . . . 0.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' GLY . 1.8 mmt-85 -34.89 124.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 0.796 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.27 -55.67 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.55 135.35 38.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.438 ' O ' ' CB ' ' A' ' 2' ' ' ASN . 9.6 m-85 . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.516 0.198 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 1' ' ' PHE . 2.0 t-20 78.58 -56.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -131.3 78.52 72.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -17.65 19.23 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.568 1.825 . . . . 0.0 110.951 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -127.78 170.23 12.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -113.37 116.85 30.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -156.01 41.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.88 52.12 0.29 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.8 mp -143.06 91.92 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 0.802 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.433 ' HD3' ' CE1' ' A' ' 19' ' ' HIS . 14.9 mtmt -109.34 21.71 16.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 12' ' ' SER . 0.3 OUTLIER -179.76 82.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.341 -179.955 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER 159.87 -24.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.976 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.04 -128.19 0.01 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 70.85 12.14 7.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.395 0.703 . . . . 0.0 109.276 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -122.21 -37.13 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.269 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.467 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 3.5 p90 -133.77 -132.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 19' ' ' HIS . 1.8 mp0 -66.65 -1.9 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.177 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 53.43 -84.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.376 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' ' 17' ' ' GLN . 5.0 m170 -79.44 -92.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.64 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -172.97 -50.99 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.57 1.169 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 56.42 163.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 110.388 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.74 -51.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 mt -49.67 155.07 0.87 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.522 0.201 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.419 ' O ' ' CB ' ' A' ' 3' ' ' ALA . 0.4 OUTLIER 174.71 91.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.47 ' N ' ' CD ' ' A' ' 4' ' ' PRO . . . 167.79 -54.68 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 3' ' ' ALA . 18.1 Cg_endo -75.01 -28.58 9.03 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.2 OUTLIER 38.37 92.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 111.011 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -104.45 -13.67 15.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.3 t -86.15 4.67 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.42 43.79 0.61 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.53 1.144 . . . . 0.0 111.053 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.47 HG13 ' CA ' ' A' ' 13' ' ' GLY . 0.6 OUTLIER -57.99 -160.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.306 -179.934 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.438 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 0.4 OUTLIER 82.47 90.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 77.44 20.57 1.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.392 1.057 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -168.39 38.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.951 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.47 ' CA ' HG13 ' A' ' 9' ' ' ILE . . . -99.87 87.04 0.71 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 13' ' ' GLY . . . -54.05 -102.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 109.229 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.626 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -179.84 170.16 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.266 -179.953 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.702 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER 77.37 -47.24 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 110.981 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.599 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 1.0 OUTLIER -86.88 0.96 54.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.913 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -75.1 0.59 15.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.602 1.189 . . . . 0.0 110.247 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -84.01 -72.44 0.46 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.574 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 21' ' ' ARG . . . 140.56 -47.37 0.88 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.586 1.178 . . . . 0.0 111.024 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.533 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER 154.81 96.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 0.797 . . . . 0.0 110.273 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 69.41 -65.45 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 21' ' ' ARG . 16.3 mt -51.08 -63.11 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.444 ' O ' ' CB ' ' A' ' 2' ' ' ASN . 1.2 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.531 0.205 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 1' ' ' PHE . 4.3 m-20 159.75 96.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 62.85 86.93 0.14 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 127.02 10.37 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.477 1.778 . . . . 0.0 110.96 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -102.46 -178.83 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -138.52 75.88 1.54 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 109.277 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.438 ' O ' ' CG1' ' A' ' 7' ' ' VAL . 54.1 t -132.22 61.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.4 -26.7 22.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 mp -40.96 104.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 109.271 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt 44.96 -167.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.441 1.088 . . . . 0.0 109.226 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.09 59.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 14' ' ' ALA . 8.0 t -101.6 -5.16 25.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.443 1.09 . . . . 0.0 110.057 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -37.14 91.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 12' ' ' SER . . . -109.57 -124.23 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.625 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 1.0 OUTLIER -178.38 168.1 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.706 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER 77.36 -47.29 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.594 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 37.6 tp60 -85.64 0.94 51.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.333 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -75.36 0.35 17.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.3 -74.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.618 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.508 ' O ' ' CD ' ' A' ' 21' ' ' ARG . . . 161.16 -67.35 0.25 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.448 1.093 . . . . 0.0 111.043 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.508 ' CD ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 157.84 108.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.34 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.81 155.79 7.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.58 -48.49 1.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.411 1.069 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.498 0.189 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.777 ' O ' ' CB ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -160.35 -49.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.916 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.777 ' CB ' ' O ' ' A' ' 2' ' ' ASN . . . 115.51 -53.68 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.775 ' HD3' ' HB1' ' A' ' 3' ' ' ALA . 18.4 Cg_endo -74.99 98.16 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.463 1.77 . . . . 0.0 110.938 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -87.84 14.45 8.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 111.07 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.486 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 0.4 OUTLIER -117.06 -179.98 3.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 6' ' ' ASP . 19.2 m 47.22 30.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.75 36.88 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.433 ' CG2' ' N ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -139.24 -160.05 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.368 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.433 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -58.79 121.48 11.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 tp 47.39 76.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.9 21.8 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.969 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.8 55.21 0.68 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.93 -81.52 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.513 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -116.67 -141.04 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.513 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 3.0 p90 -133.42 89.91 2.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.595 1.184 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.521 ' O ' ' N ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER 53.11 17.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.332 -179.966 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 63.01 -71.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 110.318 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.521 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -170.19 -77.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.49 1.119 . . . . 0.0 109.566 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 22' ' ' ALA . . . 154.9 -57.21 0.4 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 68.93 -63.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.751 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 20' ' ' GLY . . . -177.19 -59.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.7 mt -83.88 -66.04 0.94 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.451 0.167 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 179.55 -48.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.216 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.86 154.77 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 73.17 4.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.436 1.756 . . . . 0.0 110.942 -179.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.508 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 0.4 OUTLIER -140.05 -177.44 5.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 179.927 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 5' ' ' PHE . 2.0 t0 155.46 -24.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -78.65 0.18 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -116.79 -2.07 19.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.495 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 3.4 mp -99.6 58.95 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 pttp -44.11 135.11 4.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.12 93.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 13' ' ' GLY . 31.3 t 177.11 -35.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.024 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 12' ' ' SER . . . 32.46 90.64 0.01 OUTLIER Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.537 1.148 . . . . 0.0 110.992 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.91 -125.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.569 ' O ' ' HB3' ' A' ' 16' ' ' TYR . 0.3 OUTLIER 178.53 166.14 0.83 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 110.342 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.69 ' CE2' ' CG ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER 76.1 -17.67 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.996 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.69 ' CG ' ' CE2' ' A' ' 16' ' ' TYR . 5.7 mm100 -118.56 0.15 11.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.606 1.192 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -80.81 55.8 2.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.2 -56.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.614 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.22 69.11 1.44 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.26 120.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 0.0 110.272 179.931 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.87 -66.05 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 pp -94.34 139.69 30.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.24 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.481 0.182 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.4 t30 179.74 -39.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -128.49 89.52 49.3 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -168.31 0.5 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -133.01 168.2 18.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.45 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -141.47 174.35 10.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 6' ' ' ASP . 35.7 m 44.77 42.44 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.373 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.97 37.07 0.07 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.462 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 3.6 mp -147.14 64.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.573 0.808 . . . . 0.0 109.178 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 12' ' ' SER . 0.0 OUTLIER 65.23 -149.66 0.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.949 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.24 69.39 0.14 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -138.69 14.74 2.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.037 179.974 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.11 74.83 0.05 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.567 1.167 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 12' ' ' SER . . . -59.25 -108.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 0.8 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.647 ' C ' ' CG ' ' A' ' 16' ' ' TYR . 2.5 mt-30 178.53 168.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.647 ' CG ' ' C ' ' A' ' 15' ' ' GLN . 1.3 m-85 80.35 -44.94 0.26 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -90.05 0.85 56.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' GLY . 3.8 tm0? -81.6 52.09 1.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.06 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.585 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . 83.9 77.92 1.12 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 20' ' ' GLY . 10.4 ptt180 -34.85 127.65 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 0.787 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -123.58 102.21 7.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.1 mt -55.67 -64.1 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.497 ' O ' ' CB ' ' A' ' 2' ' ' ASN . 45.9 p90 . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.532 0.206 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 1' ' ' PHE . 13.2 t-20 81.65 -53.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.66 158.48 0.1 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 70.55 5.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.791 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -99.34 55.8 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t70 46.84 66.24 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.2 m -105.31 24.1 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.66 37.83 0.08 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.0 mp -140.82 75.12 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.56 0.8 . . . . 0.0 109.286 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 23.16 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -169.4 50.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 13' ' ' GLY . 3.1 m -147.57 37.14 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.994 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 12' ' ' SER . . . 32.45 68.61 0.15 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.17 -85.37 0.45 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 0.809 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.695 ' O ' ' HB3' ' A' ' 16' ' ' TYR . 0.0 OUTLIER 67.88 157.4 0.13 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.469 1.106 . . . . 0.0 110.334 -179.949 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.7 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER 80.82 -6.58 1.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.508 ' HB2' ' CD1' ' A' ' 16' ' ' TYR . 32.0 tp60 -123.13 -1.75 8.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER -74.67 0.14 16.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.09 -77.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.59 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 68.86 63.73 3.36 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' GLY . 19.4 ttp180 -34.93 108.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 110.282 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 71.53 126.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mt 44.48 85.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.515 0.198 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -165.44 -44.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.46 160.23 28.59 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.415 ' HG3' ' N ' ' A' ' 224' ' ' NH2 . 18.1 Cg_endo -75.01 -25.28 11.99 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.494 1.786 . . . . 0.0 110.955 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 55.63 167.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.599 1.187 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.448 ' C ' ' N ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -79.51 -165.06 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 7' ' ' VAL . 0.9 OUTLIER 37.95 32.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 6' ' ' ASP . . . -131.61 32.14 2.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.407 ' O ' ' O ' ' A' ' 10' ' ' LYS . 3.0 mp -137.92 99.46 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 109.236 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 12' ' ' SER . 16.1 mttm -54.26 -171.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' LYS . 4.2 mm? -39.89 96.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER 168.43 -31.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.162 . . . . 0.0 109.992 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 14' ' ' ALA . . . -133.38 105.69 0.59 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.621 ' O ' ' CG ' ' A' ' 15' ' ' GLN . . . -47.04 -94.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.791 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.636 ' O ' ' CB ' ' A' ' 16' ' ' TYR . 3.7 mt-30 153.01 142.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.389 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.636 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.2 OUTLIER 153.37 37.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER 69.98 8.22 6.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 110.255 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 54.21 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -52.97 -45.15 67.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.627 179.92 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . 57.57 34.04 68.48 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 39.16 -160.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 0.792 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 21' ' ' ARG . . . 77.37 -70.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.03 145.16 27.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . 0.415 ' N ' ' HG3' ' A' ' 4' ' ' PRO . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -43.79 -45.69 7.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.586 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.62 60.19 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.33 91.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 0.761 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.584 ' O ' ' CD2' ' A' ' 5' ' ' PHE . 18.0 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 4' ' ' PRO . 1.7 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 111.046 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 20' ' ' GLY . 8.3 tt0 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.03 -77.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 109.608 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . 119.29 59.28 0.26 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -34.8 106.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.451 -0.375 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.11 -77.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.48 1.112 . . . . 0.0 109.557 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 134.74 -54.99 0.74 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.21 -68.08 0.2 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.493 0.76 . . . . 0.0 110.34 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 179.931 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.848 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' GLY . 16.2 tt0 . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.05 -77.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.589 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 138.07 -55.16 0.68 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 39.1 47.37 1.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.777 . . . . 0.0 110.357 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.228 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.922 0 N-CA-C 110.994 -0.425 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 20' ' ' GLY . 3.6 tp60 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.1 -77.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.62 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 149.9 -58.57 0.45 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 66.96 141.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.412 0.713 . . . . 0.0 110.294 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.905 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 111.039 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' GLY . 17.6 tp60 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 63.91 -77.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.075 . . . . 0.0 109.635 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 147.78 82.88 0.04 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.07 91.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.769 . . . . 0.0 110.253 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -43.37 -39.07 2.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.582 1.176 . . . . 0.0 109.588 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.51 -46.62 1.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.44 101.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.5 0.765 . . . . 0.0 110.334 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.415 1.072 . . . . 0.0 109.329 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 111.043 -0.406 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' GLY . 14.6 tt0 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.05 -77.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.65 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 57.4 52.35 52.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.458 1.099 . . . . 0.0 111.068 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.61 168.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 110.263 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 180.0 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.034 -0.41 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.99 -86.2 0.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.579 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.47 52.75 3.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.35 134.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 0.793 . . . . 0.0 110.293 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 109.292 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 111.007 -0.421 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.9 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 110.959 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' GLY . 8.1 tt0 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 63.99 -77.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 165.56 -65.82 0.21 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.55 117.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.586 0.815 . . . . 0.0 110.241 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 179.954 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.859 0 N-CA-C 110.958 -0.439 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.642 ' CZ ' ' NE2' ' A' ' 19' ' ' HIS . 5.9 m-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 111.059 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.7 tt0 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.642 ' NE2' ' CZ ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER 64.09 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.56 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 21' ' ' ARG . . . -134.93 -81.69 0.15 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.513 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 156.3 -34.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 0.771 . . . . 0.0 110.248 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 21' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.18 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.815 0 N-CA-C 110.966 -0.436 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 20' ' ' GLY . 3.0 tt0 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.01 -77.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.625 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 160.79 -57.29 0.31 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.423 1.077 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.94 136.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 110.241 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.833 0 N-CA-C 111.052 -0.403 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.429 1.081 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.03 -77.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.611 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 21' ' ' ARG . . . -174.32 -57.41 0.05 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.13 . . . . 0.0 110.982 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.542 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.3 OUTLIER 155.45 90.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 0.783 . . . . 0.0 110.298 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.534 ' O ' ' CG ' ' A' ' 5' ' ' PHE . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 4' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -40.89 -43.42 2.06 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.579 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . 128.94 92.29 0.69 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.436 1.085 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' GLY . 6.4 ttt180 -34.93 130.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.791 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.128 . . . . 0.0 109.344 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.827 0 N-CA-C 110.986 -0.428 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.42 ' O ' ' O ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 18' ' ' GLN . 15.2 m170 43.27 -167.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.112 . . . . 0.0 109.543 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 135.56 -17.08 4.01 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 54.98 95.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 110.338 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.935 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.27 -82.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.59 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.491 ' O ' ' CG ' ' A' ' 21' ' ' ARG . . . -71.67 -68.89 1.5 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.643 ' NH1' ' HB2' ' A' ' 22' ' ' ALA . 37.4 ptt85 44.82 -168.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.643 ' HB2' ' NH1' ' A' ' 21' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.462 ' O ' ' CD2' ' A' ' 5' ' ' PHE . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.462 ' CD2' ' O ' ' A' ' 4' ' ' PRO . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -98.35 -88.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.568 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.521 ' O ' ' CB ' ' A' ' 21' ' ' ARG . . . 144.42 -49.78 0.68 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.044 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 156.07 142.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.764 . . . . 0.0 110.362 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.837 0 N-CA-C 110.958 -0.439 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -40.18 -82.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.629 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.51 ' O ' ' CD ' ' A' ' 21' ' ' ARG . . . 69.07 52.22 24.48 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.428 1.08 . . . . 0.0 111.038 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 20' ' ' GLY . 0.3 OUTLIER 168.43 167.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 0.805 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.925 0 N-CA-C 111.032 -0.411 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.01 -77.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.612 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . 166.47 65.98 0.03 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -34.75 113.43 0.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 0.784 . . . . 0.0 110.308 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.933 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.93 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.506 ' O ' ' CG ' ' A' ' 18' ' ' GLN . 9.8 tt0 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.326 -0.249 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -67.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.612 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 161.08 -63.26 0.28 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.536 1.147 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.89 111.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 110.369 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.17 . . . . 0.0 109.3 -179.991 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.463 ' O ' ' CG ' ' A' ' 5' ' ' PHE . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.949 -0.443 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.463 ' CG ' ' O ' ' A' ' 4' ' ' PRO . 9.5 m-85 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 18' ' ' GLN . 7.3 tm0? . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.99 -83.99 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.597 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . 167.12 65.21 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.093 . . . . 0.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' GLY . 1.8 mmt-85 -34.89 124.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 0.796 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.992 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.951 -0.442 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 179.939 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -79.44 -92.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.64 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -172.97 -50.99 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.57 1.169 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 56.42 163.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 110.388 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 -179.961 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 5' ' ' PHE . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.949 0 N-CA-C 110.975 -0.433 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -84.01 -72.44 0.46 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.574 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 21' ' ' ARG . . . 140.56 -47.37 0.88 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.586 1.178 . . . . 0.0 111.024 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.533 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER 154.81 96.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 0.797 . . . . 0.0 110.273 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 21' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 110.96 -0.438 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.944 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.3 -74.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.618 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.508 ' O ' ' CD ' ' A' ' 21' ' ' ARG . . . 161.16 -67.35 0.25 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.448 1.093 . . . . 0.0 111.043 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.508 ' CD ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 157.84 108.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.34 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.988 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.816 0 N-CA-C 110.938 -0.447 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 111.07 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.19 -77.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.49 1.119 . . . . 0.0 109.566 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 22' ' ' ALA . . . 154.9 -57.21 0.4 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 68.93 -63.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.751 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 20' ' ' GLY . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.942 -0.445 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.2 -56.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.614 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.22 69.11 1.44 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.26 120.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 0.0 110.272 179.931 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.998 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.997 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' GLY . 3.8 tm0? . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.06 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.585 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . 83.9 77.92 1.12 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 20' ' ' GLY . 10.4 ptt180 -34.85 127.65 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 0.787 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.978 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.913 0 N-CA-C 110.931 -0.45 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.96 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.09 -77.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.59 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 68.86 63.73 3.36 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.504 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 19.4 ttp180 -34.93 108.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 110.282 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 21' ' ' ARG . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.835 0 N-CA-C 110.955 -0.44 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.599 1.187 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.97 -45.15 67.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.627 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . 57.57 34.04 68.48 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.609 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER 39.16 -160.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 0.792 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 21' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 . . . . . 0 N--CA 1.451 -0.38 0 CA-C-O 120.562 0.22 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 48.9 t30 177.49 93.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -131.08 73.59 80.62 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -15.04 21.07 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.443 1.759 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -119.48 178.63 4.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.558 ' OD1' HG21 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -119.24 -1.02 10.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.425 HG12 ' O ' ' A' ' 7' ' ' VAL . 61.7 t -70.24 60.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 145.27 44.98 0.04 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.659 HG23 ' HB2' ' A' ' 12' ' ' SER . 2.6 tp -94.74 22.36 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.753 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 9' ' ' ILE . 2.0 mttp 39.32 70.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.368 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 13' ' ' GLY . 0.7 OUTLIER 76.18 -84.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.659 ' HB2' HG23 ' A' ' 9' ' ' ILE . 0.7 OUTLIER 38.77 31.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -37.2 -31.22 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 12' ' ' SER . . . -40.9 -90.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.551 ' HG3' ' CD2' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -108.84 -145.9 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.551 ' CD2' ' HG3' ' A' ' 15' ' ' GLN . 9.2 p90 -128.86 -40.75 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.422 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 51.6 mt-30 -128.9 4.16 5.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 110.351 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 38.99 58.06 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.317 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -43.79 -45.69 7.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.586 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.62 60.19 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.33 91.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 0.761 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -172.77 106.66 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 mt 40.74 77.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.517 0.199 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -119.04 -41.56 2.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -176.1 156.12 1.57 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.584 ' O ' ' CD2' ' A' ' 5' ' ' PHE . 18.0 Cg_endo -74.98 -22.24 15.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.532 1.806 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 4' ' ' PRO . 1.7 m-85 176.26 79.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 111.046 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.689 ' O ' HG22 ' A' ' 7' ' ' VAL . 45.8 t0 -172.79 172.23 4.17 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 109.225 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.689 HG22 ' O ' ' A' ' 6' ' ' ASP . 10.3 m 49.13 23.82 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.38 41.94 0.23 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.115 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mp -77.04 99.27 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -123.72 33.34 5.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -172.32 -61.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -47.86 106.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.971 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.99 64.99 2.65 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.09 -98.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 0.752 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.518 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -115.07 -146.8 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.073 . . . . 0.0 110.281 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.518 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 2.4 p90 -128.22 -40.4 1.65 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -128.6 3.94 5.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 20' ' ' GLY . 8.3 tt0 39.87 44.9 1.45 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.52 1.137 . . . . 0.0 110.268 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.03 -77.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 109.608 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . 119.29 59.28 0.26 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -34.8 106.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 42.05 90.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.5 mt -51.07 104.4 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.419 0 O-C-N 124.394 1.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.512 0.196 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.95 -45.74 93.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.558 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . -176.89 166.15 1.43 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 0.0 109.244 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.558 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 18.6 Cg_endo -74.98 -21.1 16.25 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.464 1.771 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -116.42 -171.32 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.447 ' CB ' HD13 ' A' ' 9' ' ' ILE . 1.3 m-20 -125.19 -89.87 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.424 HG12 ' C ' ' A' ' 6' ' ' ASP . 2.9 p 41.08 81.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.353 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.9 40.87 0.43 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.447 HD13 ' CB ' ' A' ' 6' ' ' ASP . 4.3 mp -141.29 80.12 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 109.257 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -63.65 -161.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 12' ' ' SER . 12.8 mt -40.45 101.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.583 1.177 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER 159.19 -25.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 110.027 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.14 -94.12 2.27 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 0.0 111.059 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -171.97 -93.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 0.732 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -110.81 -146.59 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -128.54 -40.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 111.043 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -128.63 3.82 5.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.231 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.5 OUTLIER 40.47 61.29 1.64 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.11 -77.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.48 1.112 . . . . 0.0 109.557 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 134.74 -54.99 0.74 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.21 -68.08 0.2 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.493 0.76 . . . . 0.0 110.34 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.66 133.37 55.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 pp -131.39 144.06 50.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 3' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.579 0.228 . . . . 0.0 111.046 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.416 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 17.3 m-20 60.6 -84.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 1' ' ' PHE . . . 67.04 156.07 0.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 89.32 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.596 1.84 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.441 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 0.3 OUTLIER -41.35 104.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 0.0 110.959 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' A' ' 5' ' ' PHE . 3.2 t0 159.99 86.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.8 t -100.58 70.46 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.63 28.18 36.41 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.583 1.177 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.6 mt -102.8 120.79 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -116.85 65.12 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 69.15 45.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.359 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.56 -8.66 17.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.933 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.17 -66.85 0.56 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -143.91 -93.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.529 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -116.26 -141.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.529 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 2.9 p90 -133.5 89.91 2.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 54.01 16.61 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' GLY . 16.2 tt0 39.47 59.9 1.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.05 -77.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.589 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 138.07 -55.16 0.68 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 39.1 47.37 1.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.777 . . . . 0.0 110.357 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.21 -60.03 2.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.228 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 224' ' ' NH2 . 0.9 OUTLIER -163.57 -54.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . 0.58 ' N ' HD12 ' A' ' 23' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.6 t80 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.559 0.219 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.55 -45.55 1.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 58.74 158.58 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 166.2 29.6 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.475 1.777 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -108.27 87.76 2.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -118.55 61.76 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.598 ' O ' HG23 ' A' ' 7' ' ' VAL . 33.8 m -101.92 95.62 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.23 44.22 3.57 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.502 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 2.5 tp -65.38 110.69 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.79 . . . . 0.0 109.383 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.536 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.1 mtpm? -100.52 56.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.536 HD23 ' O ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER 174.88 -36.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -100.9 20.43 15.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.998 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.74 75.32 0.05 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' SER . . . -134.44 -81.93 0.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 0.807 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.567 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -115.03 -141.36 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.567 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 2.8 p90 -133.21 89.65 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 54.01 16.61 1.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 20' ' ' GLY . 3.6 tp60 39.83 57.3 2.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.1 -77.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.62 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 149.9 -58.57 0.45 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 66.96 141.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.412 0.713 . . . . 0.0 110.294 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -130.59 146.39 52.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.77 78.75 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 109.309 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.576 1.173 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.509 0.195 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.531 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 4.8 p-10 178.59 90.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.41 ' N ' ' HD3' ' A' ' 4' ' ' PRO . . . -178.02 64.48 0.18 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 18.3 Cg_endo -74.97 59.34 5.14 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.354 1.713 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -151.02 54.3 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.22 94.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.0 m -136.49 13.31 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.617 ' C ' HD12 ' A' ' 9' ' ' ILE . . . 85.31 -44.14 3.33 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.617 HD12 ' C ' ' A' ' 8' ' ' GLY . 3.4 mp 56.0 105.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 0.729 . . . . 0.0 109.364 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.86 122.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 mp 49.98 61.12 3.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.76 103.46 14.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.707 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . -92.19 -30.54 9.99 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 13' ' ' GLY . . . 162.3 124.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.743 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.421 ' CD ' ' CB ' ' A' ' 18' ' ' GLN . 14.2 mp0 -60.32 -129.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -135.26 -42.35 0.71 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 19' ' ' HIS . 54.4 mt-30 -116.14 4.3 13.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' GLY . 17.6 tp60 -69.19 61.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER 63.91 -77.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.075 . . . . 0.0 109.635 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 147.78 82.88 0.04 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.07 91.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.769 . . . . 0.0 110.253 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.66 -60.62 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.8 mt -42.96 138.68 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.275 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.403 1.064 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.471 0.177 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -140.64 91.01 2.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 42.06 66.73 3.8 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -22.42 14.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 40.73 88.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.435 ' HA ' HD13 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -136.44 53.85 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.436 ' O ' HG22 ' A' ' 7' ' ' VAL . 1.8 p -113.86 81.74 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.361 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 152.36 -40.21 0.74 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.535 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.2 mp -48.9 100.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 tttm -90.78 -149.59 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.249 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.18 -18.64 64.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.91 -7.86 43.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.432 ' HA3' HG23 ' A' ' 9' ' ' ILE . . . -93.78 -76.15 1.32 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.439 1.087 . . . . 0.0 111.04 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 13' ' ' GLY . . . -179.37 -85.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 0.729 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.543 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -116.53 -140.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.221 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.543 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 2.6 p90 -133.53 89.83 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? 53.07 17.5 0.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.53 0.92 15.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.426 1.078 . . . . 0.0 110.282 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -43.37 -39.07 2.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.582 1.176 . . . . 0.0 109.588 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.51 -46.62 1.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.44 101.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.5 0.765 . . . . 0.0 110.334 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.11 172.28 13.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.415 1.072 . . . . 0.0 109.329 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.76 72.26 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.525 0.202 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -173.85 -40.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.43 158.79 45.48 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -89.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.465 1.771 . . . . 0.0 111.043 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 37.81 79.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.675 ' HA ' HD11 ' A' ' 9' ' ' ILE . 8.5 t70 68.8 90.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.637 ' O ' HG23 ' A' ' 7' ' ' VAL . 21.3 m -86.32 67.57 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' LYS . . . 37.83 38.14 0.47 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.675 HD11 ' HA ' ' A' ' 6' ' ' ASP . 1.9 mp -40.55 98.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 109.281 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -45.45 99.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 12' ' ' SER . 0.2 OUTLIER 75.89 75.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.369 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.522 ' HB2' HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER 158.51 -25.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.958 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.668 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . -95.25 -131.73 6.62 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 13' ' ' GLY . . . 164.81 -90.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.496 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -116.8 -141.17 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 110.283 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.496 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 2.9 p90 -133.55 89.98 2.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 53.9 16.66 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.349 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' GLY . 14.6 tt0 40.09 57.69 2.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.05 -77.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.65 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 57.4 52.35 52.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.458 1.099 . . . . 0.0 111.068 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.61 168.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 110.263 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.29 64.5 1.18 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -71.87 125.75 27.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.49 0.186 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -82.02 69.47 8.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.374 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.471 ' HB3' ' OD1' ' A' ' 6' ' ' ASP . . . -94.29 156.4 38.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 158.72 41.86 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.481 1.779 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 67.5 8.77 6.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.471 ' OD1' ' HB3' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -138.51 -166.73 2.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.448 HG22 ' C ' ' A' ' 6' ' ' ASP . 24.3 m 42.93 60.22 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 10' ' ' LYS . . . 165.14 -29.15 0.21 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.665 HG23 ' O ' ' A' ' 9' ' ' ILE . 4.3 tp -60.41 86.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 0.741 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -89.82 144.07 26.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 12' ' ' SER . 5.0 mp 44.47 79.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER 158.36 -25.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.005 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.11 -116.18 3.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -175.64 -84.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 0.772 . . . . 0.0 109.323 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.533 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -116.47 -141.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.266 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.533 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 2.9 p90 -133.41 89.75 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 53.19 17.38 0.98 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.11 0.45 16.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.99 -86.2 0.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.579 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.47 52.75 3.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.437 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 0.0 OUTLIER 73.35 134.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 0.793 . . . . 0.0 110.293 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.6 -64.9 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 21' ' ' ARG . 18.1 mt 44.19 90.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.491 0.186 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.3 p30 168.55 124.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.405 ' N ' ' HD3' ' A' ' 4' ' ' PRO . . . -156.41 65.11 3.84 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.518 ' HB2' HG23 ' A' ' 7' ' ' VAL . 18.5 Cg_endo -74.91 -23.59 13.85 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.549 1.815 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.478 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 15.9 t80 48.13 77.87 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 5' ' ' PHE . 1.1 m-20 157.53 -25.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.518 HG23 ' HB2' ' A' ' 4' ' ' PRO . 42.6 t -70.12 59.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 146.51 45.26 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.664 HG23 ' O ' ' A' ' 9' ' ' ILE . 3.2 tp -100.33 73.52 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 0.0 109.295 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -86.37 78.36 9.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 12' ' ' SER . 0.3 OUTLIER 64.57 105.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 0.9 OUTLIER 158.43 -25.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.586 ' HA3' HD11 ' A' ' 9' ' ' ILE . . . -106.81 -101.82 2.75 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -176.68 -88.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 0.766 . . . . 0.0 109.293 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.516 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -116.37 -141.17 0.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.312 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.516 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 3.0 p90 -133.58 89.93 2.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 54.01 16.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' GLY . 8.1 tt0 40.13 58.15 2.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 63.99 -77.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 165.56 -65.82 0.21 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.55 117.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.586 0.815 . . . . 0.0 110.241 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.37 142.63 51.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 23' ' ' LEU . 1.8 pp -142.67 93.25 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.486 0.184 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 3' ' ' ALA . 8.5 m-80 -42.36 -43.09 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' ASN . . . 40.47 79.29 0.33 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.238 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -177.31 3.39 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.481 1.779 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.642 ' CZ ' ' NE2' ' A' ' 19' ' ' HIS . 5.9 m-85 -120.94 -0.8 9.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 111.059 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 5' ' ' PHE . 3.7 t0 161.02 79.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 7' ' ' VAL . 4.8 p -115.78 40.13 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.05 7.81 40.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.636 HG23 ' O ' ' A' ' 9' ' ' ILE . 5.5 tt -40.54 101.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 109.342 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -111.44 30.54 6.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tp -147.19 22.68 1.19 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 t -95.9 107.89 20.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.04 71.06 0.21 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.595 1.185 . . . . 0.0 110.977 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.71 -99.28 0.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 0.754 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.53 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -116.85 -140.91 0.37 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.53 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 2.9 p90 -133.51 89.84 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 53.19 17.37 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.7 tt0 -78.01 3.76 13.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.642 ' NE2' ' CZ ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER 64.09 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.56 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 21' ' ' ARG . . . -134.93 -81.69 0.15 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.513 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 156.3 -34.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 0.771 . . . . 0.0 110.248 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 21' ' ' ARG . . . 71.59 -62.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.18 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 mt -54.46 97.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.471 0.177 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 176.88 139.74 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.511 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . -59.03 165.28 3.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.511 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 18.3 Cg_endo -74.99 116.96 4.74 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.533 1.807 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -150.73 58.7 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.575 ' O ' HG22 ' A' ' 7' ' ' VAL . 1.5 p30 -160.11 -176.71 5.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 6' ' ' ASP . 27.4 m 47.16 25.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -158.45 25.01 0.38 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 mp -148.93 130.3 5.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.412 0.713 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 12' ' ' SER . 4.8 ttmm -73.09 59.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' ALA . 3.7 mp 68.22 -69.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.599 1.187 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 10' ' ' LYS . 27.8 t 43.8 -100.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.701 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . -117.28 41.78 2.01 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 13' ' ' GLY . . . 161.47 128.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 0.74 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.598 ' OE1' ' CD1' ' A' ' 16' ' ' TYR . 3.0 tt0 -60.58 -137.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.598 ' CD1' ' OE1' ' A' ' 15' ' ' GLN . 1.4 p90 -131.47 -39.7 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -129.99 4.75 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.354 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 20' ' ' GLY . 3.0 tt0 38.99 64.5 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.312 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.01 -77.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.625 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 160.79 -57.29 0.31 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.423 1.077 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.94 136.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 110.241 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -154.71 62.08 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 pp -77.47 143.54 38.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.366 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 2' ' ' ASN . 46.2 p90 . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.53 0.205 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.662 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 2.0 m-20 -94.89 87.94 5.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.366 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.837 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . 165.71 -53.97 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.837 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 18.4 Cg_endo -74.94 177.03 9.1 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.484 1.781 . . . . 0.0 111.052 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.512 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 0.4 OUTLIER 58.47 96.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.429 1.081 . . . . 0.0 110.939 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER 155.5 -24.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.2 m -87.16 11.21 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.13 30.78 0.22 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.472 ' CD1' ' CE2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -109.4 112.4 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -96.54 132.98 41.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 tp 43.32 56.75 4.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.1 m -166.3 31.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.692 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . -97.28 -97.28 1.93 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 13' ' ' GLY . . . 84.0 -65.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.731 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.562 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -128.78 -138.4 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.562 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 3.1 p90 -135.08 90.85 2.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 52.31 17.9 0.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.344 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.5 OUTLIER -74.85 0.22 16.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.03 -77.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.611 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 21' ' ' ARG . . . -174.32 -57.41 0.05 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.13 . . . . 0.0 110.982 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.542 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.3 OUTLIER 155.45 90.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 0.783 . . . . 0.0 110.298 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -169.56 -62.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.9 mt -89.4 173.43 8.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.449 0.166 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.677 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 4.5 t-20 -132.14 -153.23 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.817 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . 164.61 -53.27 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.27 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.817 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 18.2 Cg_endo -75.02 -89.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.407 1.74 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 4' ' ' PRO . 0.3 OUTLIER 161.86 -25.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.51 ' C ' HG23 ' A' ' 7' ' ' VAL . 2.2 p-10 -157.02 -156.36 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.36 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.51 HG23 ' C ' ' A' ' 6' ' ' ASP . 3.3 t 75.86 12.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.599 1.187 . . . . 0.0 109.291 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.37 32.63 0.16 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.591 HG23 ' HB2' ' A' ' 12' ' ' SER . 2.7 tp -87.17 83.27 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.757 . . . . 0.0 109.261 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 12' ' ' SER . 6.5 tttp 49.37 -162.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.67 64.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.356 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.591 ' HB2' HG23 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -85.15 102.83 13.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.514 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . -112.67 80.09 0.27 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 13' ' ' GLY . . . 174.87 -94.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.426 0.721 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.549 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -116.03 -141.03 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.549 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 2.8 p90 -133.36 89.71 2.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.075 . . . . 0.0 110.997 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 53.17 17.38 0.96 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.78 0.22 16.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -40.89 -43.42 2.06 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.579 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . 128.94 92.29 0.69 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.436 1.085 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' GLY . 6.4 ttt180 -34.93 130.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.791 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.99 99.27 9.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.128 . . . . 0.0 109.344 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.6 mt -48.81 114.54 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.513 0.197 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -100.86 -36.37 9.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.454 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . -174.31 163.28 2.77 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.585 1.178 . . . . 0.0 109.236 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.454 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 18.5 Cg_endo -75.04 -178.09 3.93 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.414 1.744 . . . . 0.0 110.986 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -107.26 -161.97 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.657 ' HB3' HD13 ' A' ' 9' ' ' ILE . 5.9 m-20 -172.09 92.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.627 ' O ' HG23 ' A' ' 7' ' ' VAL . 31.1 m -87.01 94.1 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.47 49.54 0.7 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.472 1.107 . . . . 0.0 110.947 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.721 HG23 ' N ' ' A' ' 10' ' ' LYS . 1.5 tp -89.45 -168.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 0.794 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.721 ' N ' HG23 ' A' ' 9' ' ' ILE . 0.6 OUTLIER 62.48 128.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 69.25 -73.34 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.65 15.27 8.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.034 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.698 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . -103.43 -56.15 0.78 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.53 1.143 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 13' ' ' GLY . . . 84.1 -66.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.566 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -128.73 -138.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.287 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.566 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 3.2 p90 -135.11 90.76 2.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.461 1.101 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 52.45 17.8 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.42 ' O ' ' O ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -74.9 0.31 16.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 18' ' ' GLN . 15.2 m170 43.27 -167.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.112 . . . . 0.0 109.543 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 135.56 -17.08 4.01 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 54.98 95.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 110.338 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 58.3 162.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 mp 40.66 86.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.572 0.225 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 41.2 62.81 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.66 88.22 0.29 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 57.36 4.51 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.478 1.778 . . . . 0.0 111.028 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -112.91 177.03 4.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -110.51 86.0 2.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.569 ' O ' HG23 ' A' ' 7' ' ' VAL . 34.8 m -127.19 84.21 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.93 39.09 2.06 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.491 1.12 . . . . 0.0 111.02 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.613 HG23 ' O ' ' A' ' 9' ' ' ILE . 6.4 tp -116.24 100.89 11.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.458 0.74 . . . . 0.0 109.356 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 12' ' ' SER . 0.3 OUTLIER -66.08 -163.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.372 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.844 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -36.25 98.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER 165.72 -29.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.668 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . -92.1 -57.59 1.47 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 13' ' ' GLY . . . 84.18 -65.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 0.727 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.554 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -128.67 -138.35 0.23 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.554 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 3.2 p90 -135.14 90.78 2.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.405 1.066 . . . . 0.0 111.047 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 52.38 17.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -74.77 0.15 16.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 110.291 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.27 -82.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.59 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.491 ' O ' ' CG ' ' A' ' 21' ' ' ARG . . . -71.67 -68.89 1.5 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.643 ' NH1' ' HB2' ' A' ' 22' ' ' ALA . 37.4 ptt85 44.82 -168.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.643 ' HB2' ' NH1' ' A' ' 21' ' ' ARG . . . 66.2 111.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.47 -51.25 0.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.556 0.217 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 65.05 81.49 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 44.42 81.35 0.26 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 0.0 109.299 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.462 ' O ' ' CD2' ' A' ' 5' ' ' PHE . 18.2 Cg_endo -74.94 79.74 2.58 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.537 1.809 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.462 ' CD2' ' O ' ' A' ' 4' ' ' PRO . 0.6 OUTLIER 173.27 -168.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -115.41 74.12 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.2 t -129.82 52.19 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.506 ' C ' HD12 ' A' ' 9' ' ' ILE . . . 113.95 23.12 5.07 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.781 ' N ' HD12 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -143.82 165.05 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 109.225 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 12' ' ' SER . 10.4 tttp 41.62 -143.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.249 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.548 ' O ' ' CB ' ' A' ' 12' ' ' SER . 0.3 OUTLIER -39.91 -29.86 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 2.6 p 89.19 -21.68 0.13 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 12' ' ' SER . . . 33.17 91.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' GLY . . . -38.7 -76.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -85.98 -130.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.331 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.6 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -138.24 91.35 2.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 51.31 18.76 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.403 ' N ' ' C ' ' A' ' 16' ' ' TYR . 36.0 tt0 40.25 52.93 2.86 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.488 1.118 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -98.35 -88.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.568 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.521 ' O ' ' CB ' ' A' ' 21' ' ' ARG . . . 144.42 -49.78 0.68 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.044 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 156.07 142.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.764 . . . . 0.0 110.362 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.56 113.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.62 -66.22 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.532 0.206 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -89.57 86.01 6.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.5 114.39 47.19 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 134.57 17.82 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.511 1.795 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.533 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 10.7 t80 -113.4 95.09 5.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER 153.61 -22.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.344 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 m -70.07 56.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' ASP . . . 151.02 45.05 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 9' ' ' ILE . 0.7 OUTLIER -136.51 105.7 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 109.282 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.82 162.14 13.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mp 40.67 43.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.468 ' CB ' HG12 ' A' ' 9' ' ' ILE . 1.6 p -116.49 107.76 15.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.962 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.689 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . -63.55 75.62 0.04 OUTLIER Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 13' ' ' GLY . . . 163.14 121.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.406 0.709 . . . . 0.0 109.275 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -69.78 -116.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.466 ' HB3' ' CB ' ' A' ' 6' ' ' ASP . 2.8 p90 -145.34 93.74 2.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 111.052 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 49.0 20.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 110.311 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 16' ' ' TYR . 51.4 tt0 39.61 58.7 1.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -40.18 -82.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.629 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.51 ' O ' ' CD ' ' A' ' 21' ' ' ARG . . . 69.07 52.22 24.48 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.428 1.08 . . . . 0.0 111.038 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 20' ' ' GLY . 0.3 OUTLIER 168.43 167.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 0.805 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.8 -57.51 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.0 mt 44.35 81.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.574 0.226 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -161.23 119.76 2.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.867 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . -78.98 -55.19 0.97 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.385 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.867 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 18.2 Cg_endo -75.02 -14.19 21.17 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.483 1.781 . . . . 0.0 111.032 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.472 ' CB ' ' HB3' ' A' ' 2' ' ' ASN . 0.2 OUTLIER -116.84 153.32 32.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.956 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.598 ' OD1' ' CD1' ' A' ' 16' ' ' TYR . 1.6 t70 -113.23 -16.22 12.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' ASP . 1.6 t 39.98 65.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 149.81 45.24 0.03 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.534 HD11 ' HB3' ' A' ' 6' ' ' ASP . 20.2 mt -98.42 113.52 33.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.457 0.739 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 11' ' ' LEU . 7.7 mttt -164.25 79.19 0.38 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.408 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER 81.23 80.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.7 p -140.07 103.58 4.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.944 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.17 76.63 1.92 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.467 1.104 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.457 ' HB2' ' HG3' ' A' ' 18' ' ' GLN . . . 64.64 111.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -163.85 -43.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.598 ' CD1' ' OD1' ' A' ' 6' ' ' ASP . 39.7 p90 -134.87 -43.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.036 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.522 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 1.1 mt-30 -142.13 14.65 2.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.399 1.062 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.457 ' HG3' ' HB2' ' A' ' 14' ' ' ALA . 0.4 OUTLIER 38.72 60.42 1.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.01 -77.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.612 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . 166.47 65.98 0.03 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -34.75 113.43 0.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 0.784 . . . . 0.0 110.308 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 47.04 93.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.4 mt -46.72 -63.16 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.237 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.403 1.064 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.509 0.195 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.633 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 4.7 m-20 -53.58 -41.04 66.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.633 ' HB2' ' O ' ' A' ' 2' ' ' ASN . . . 168.22 160.33 0.16 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -22.16 15.08 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.495 1.787 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 46.32 94.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.421 ' HB3' ' CD2' ' A' ' 19' ' ' HIS . 1.2 m-20 -134.18 82.44 1.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.6 m -137.24 57.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 159.37 49.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.565 1.166 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.524 HG22 ' O ' ' A' ' 9' ' ' ILE . 4.5 mp -135.04 57.0 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 mptt 43.78 -165.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.97 53.68 2.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.5 t -100.54 -8.7 22.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 110.003 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.86 -137.43 7.45 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.65 -47.05 0.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.333 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -167.02 -40.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 18' ' ' GLN . 2.4 p90 -144.32 -135.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 111.076 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.493 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 72.1 mt-30 -59.44 -6.63 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.569 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 9.8 tt0 -79.56 62.16 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.602 1.189 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.421 ' CD2' ' HB3' ' A' ' 6' ' ' ASP . 0.0 OUTLIER -60.87 -67.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.612 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 161.08 -63.26 0.28 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.536 1.147 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.89 111.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 110.369 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -172.19 95.33 0.15 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.17 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.62 176.12 5.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.516 ' CE2' ' HB2' ' A' ' 2' ' ' ASN . 20.5 p90 . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.542 0.211 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.516 ' HB2' ' CE2' ' A' ' 1' ' ' PHE . 0.9 OUTLIER -125.1 -44.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -162.11 85.51 1.57 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.463 ' O ' ' CG ' ' A' ' 5' ' ' PHE . 18.2 Cg_endo -75.03 111.19 3.27 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.437 1.756 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.463 ' CG ' ' O ' ' A' ' 4' ' ' PRO . 9.5 m-85 -167.77 49.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.498 ' OD2' ' CB ' ' A' ' 15' ' ' GLN . 0.6 OUTLIER -128.41 66.11 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.916 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.4 m -126.67 77.24 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.424 1.078 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 134.58 46.51 0.1 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.912 HG21 ' CB ' ' A' ' 14' ' ' ALA . 1.4 tp -150.21 116.6 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 0.757 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' C ' HD12 ' A' ' 11' ' ' LEU . 2.1 mttp -70.17 61.01 0.2 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.439 HD12 ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 40.29 87.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.384 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -151.52 -60.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.23 75.23 0.37 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.912 ' CB ' HG21 ' A' ' 9' ' ' ILE . . . -158.71 -77.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.763 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.498 ' CB ' ' OD2' ' A' ' 6' ' ' ASP . 3.0 tp-100 -157.71 -95.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.395 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.417 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 0.1 OUTLIER 174.52 -31.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 110.988 179.943 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 19' ' ' HIS . 86.6 mt-30 -74.05 1.29 11.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' A' ' 6' ' ' ASP . 7.3 tm0? -63.46 76.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.313 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -128.99 -83.99 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.597 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . 167.12 65.21 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.093 . . . . 0.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' GLY . 1.8 mmt-85 -34.89 124.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 0.796 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.27 -55.67 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.508 ' C ' HD12 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -96.55 135.35 38.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.438 ' O ' ' CB ' ' A' ' 2' ' ' ASN . 9.6 m-85 . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.516 0.198 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 1' ' ' PHE . 2.0 t-20 78.58 -56.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -131.3 78.52 72.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -17.65 19.23 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.568 1.825 . . . . 0.0 110.951 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -127.78 170.23 12.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.533 ' O ' HG13 ' A' ' 7' ' ' VAL . 17.2 m-20 -113.37 116.85 30.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 6' ' ' ASP . 0.3 OUTLIER -156.01 41.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.952 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.72 ' H ' HD12 ' A' ' 9' ' ' ILE . . . -163.88 52.12 0.29 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.72 HD12 ' H ' ' A' ' 8' ' ' GLY . 4.8 mp -143.06 91.92 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 0.802 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.599 ' HA ' ' CE1' ' A' ' 19' ' ' HIS . 14.9 mtmt -109.34 21.71 16.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 12' ' ' SER . 0.3 OUTLIER -179.76 82.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.341 -179.955 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER 159.87 -24.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.976 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.488 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . -60.04 -128.19 0.01 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 13' ' ' GLY . . . 70.85 12.14 7.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.395 0.703 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -122.21 -37.13 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.269 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.467 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 3.5 p90 -133.77 -132.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 19' ' ' HIS . 1.8 mp0 -66.65 -1.9 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.177 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.4 ' H ' ' C ' ' A' ' 16' ' ' TYR . 4.8 tt0 53.43 -84.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.376 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.599 ' CE1' ' HA ' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -79.44 -92.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.64 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -172.97 -50.99 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.57 1.169 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 56.42 163.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 110.388 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.74 -51.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 mt -49.67 155.07 0.87 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.522 0.201 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.617 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.4 OUTLIER 174.71 91.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.844 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . 167.79 -54.68 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.844 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 18.1 Cg_endo -75.01 -28.58 9.03 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.2 OUTLIER 38.37 92.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 111.011 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -104.45 -13.67 15.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 7' ' ' VAL . 20.3 t -86.15 4.67 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.42 43.79 0.61 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.53 1.144 . . . . 0.0 111.053 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.646 HG23 ' N ' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -57.99 -160.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.306 -179.934 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.646 ' N ' HG23 ' A' ' 9' ' ' ILE . 0.4 OUTLIER 82.47 90.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 77.44 20.57 1.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.392 1.057 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -168.39 38.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.951 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.469 ' CA ' HG13 ' A' ' 9' ' ' ILE . . . -99.87 87.04 0.71 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 13' ' ' GLY . . . -54.05 -102.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 109.229 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.626 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -179.84 170.16 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.266 -179.953 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.702 ' CD1' ' C ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER 77.37 -47.24 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 110.981 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.599 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 0.9 OUTLIER -86.88 0.96 54.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.913 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -75.1 0.59 15.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.602 1.189 . . . . 0.0 110.247 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -84.01 -72.44 0.46 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.574 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 21' ' ' ARG . . . 140.56 -47.37 0.88 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.586 1.178 . . . . 0.0 111.024 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.533 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER 154.81 96.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 0.797 . . . . 0.0 110.273 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 21' ' ' ARG . . . 69.41 -65.45 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 21' ' ' ARG . 16.3 mt -51.08 -63.11 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.444 ' O ' ' CB ' ' A' ' 2' ' ' ASN . 1.2 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.531 0.205 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 1' ' ' PHE . 4.3 m-20 159.75 96.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 62.85 86.93 0.14 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 127.02 10.37 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.477 1.778 . . . . 0.0 110.96 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -102.46 -178.83 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -138.52 75.88 1.54 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 109.277 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.675 HG12 ' O ' ' A' ' 7' ' ' VAL . 54.1 t -132.22 61.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.4 -26.7 22.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 mp -40.96 104.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 109.271 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt 44.96 -167.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.441 1.088 . . . . 0.0 109.226 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.09 59.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 14' ' ' ALA . 8.0 t -101.6 -5.16 25.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.443 1.09 . . . . 0.0 110.057 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -37.14 91.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 12' ' ' SER . . . -109.57 -124.23 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.625 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 1.0 OUTLIER -178.38 168.1 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.706 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER 77.36 -47.29 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.594 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 37.6 tp60 -85.64 0.94 51.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.333 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -75.36 0.35 17.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.3 -74.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.618 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.508 ' O ' ' CD ' ' A' ' 21' ' ' ARG . . . 161.16 -67.35 0.25 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.448 1.093 . . . . 0.0 111.043 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.508 ' CD ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 157.84 108.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.34 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.81 155.79 7.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.58 -48.49 1.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.411 1.069 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.498 0.189 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.777 ' O ' ' CB ' ' A' ' 3' ' ' ALA . 16.9 p-10 -160.35 -49.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.916 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.824 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . 115.51 -53.68 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.824 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 18.4 Cg_endo -74.99 98.16 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.463 1.77 . . . . 0.0 110.938 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -87.84 14.45 8.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 111.07 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.601 ' O ' HG22 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -117.06 -179.98 3.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 6' ' ' ASP . 19.2 m 47.22 30.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.75 36.88 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.685 HG23 ' N ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -139.24 -160.05 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.368 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.685 ' N ' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -58.79 121.48 11.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 tp 47.39 76.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.9 21.8 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.969 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.8 55.21 0.68 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.93 -81.52 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.513 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -116.67 -141.04 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.575 ' HA ' HG12 ' A' ' 7' ' ' VAL . 3.0 p90 -133.42 89.91 2.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.595 1.184 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.521 ' O ' ' N ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER 53.11 17.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.332 -179.966 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 63.01 -71.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 110.318 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.521 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -170.19 -77.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.49 1.119 . . . . 0.0 109.566 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 22' ' ' ALA . . . 154.9 -57.21 0.4 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 68.93 -63.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.751 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 20' ' ' GLY . . . -177.19 -59.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.7 mt -83.88 -66.04 0.94 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.451 0.167 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 179.55 -48.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.216 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.86 154.77 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 73.17 4.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.436 1.756 . . . . 0.0 110.942 -179.94 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.508 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 0.4 OUTLIER -140.05 -177.44 5.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 179.927 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.593 ' HA ' HD13 ' A' ' 9' ' ' ILE . 2.0 t0 155.46 -24.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -78.65 0.18 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -116.79 -2.07 19.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.736 HG22 ' O ' ' A' ' 9' ' ' ILE . 3.4 mp -99.6 58.95 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 pttp -44.11 135.11 4.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.12 93.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 13' ' ' GLY . 31.3 t 177.11 -35.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.024 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 12' ' ' SER . . . 32.46 90.64 0.01 OUTLIER Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.537 1.148 . . . . 0.0 110.992 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.91 -125.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.57 ' O ' ' HB3' ' A' ' 16' ' ' TYR . 0.3 OUTLIER 178.53 166.14 0.83 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 110.342 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.69 ' CE2' ' CG ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER 76.1 -17.67 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.996 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.69 ' CG ' ' CE2' ' A' ' 16' ' ' TYR . 5.7 mm100 -118.56 0.15 11.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.606 1.192 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -80.81 55.8 2.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.2 -56.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.614 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.22 69.11 1.44 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.26 120.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 0.0 110.272 179.931 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.87 -66.05 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 pp -94.34 139.69 30.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.24 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.481 0.182 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.4 t30 179.74 -39.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -128.49 89.52 49.3 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -168.31 0.5 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -133.01 168.2 18.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.453 ' C ' HG22 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -141.47 174.35 10.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.453 HG22 ' C ' ' A' ' 6' ' ' ASP . 35.7 m 44.77 42.44 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.373 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.599 ' C ' HD12 ' A' ' 9' ' ' ILE . . . -179.97 37.07 0.07 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.718 HG22 ' O ' ' A' ' 9' ' ' ILE . 3.6 mp -147.14 64.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.573 0.808 . . . . 0.0 109.178 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 12' ' ' SER . 0.0 OUTLIER 65.23 -149.66 0.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.949 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.24 69.39 0.14 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -138.69 14.74 2.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.037 179.974 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.11 74.83 0.05 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.567 1.167 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 12' ' ' SER . . . -59.25 -108.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 0.8 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.647 ' C ' ' CG ' ' A' ' 16' ' ' TYR . 2.5 mt-30 178.53 168.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.647 ' CG ' ' C ' ' A' ' 15' ' ' GLN . 1.3 m-85 80.35 -44.94 0.26 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -90.05 0.85 56.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' GLY . 3.8 tm0? -81.6 52.09 1.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.06 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.585 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . 83.9 77.92 1.12 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 20' ' ' GLY . 10.4 ptt180 -34.85 127.65 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 0.787 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -123.58 102.21 7.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.1 mt -55.67 -64.1 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.497 ' O ' ' CB ' ' A' ' 2' ' ' ASN . 45.9 p90 . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.532 0.206 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 1' ' ' PHE . 13.2 t-20 81.65 -53.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.613 ' HB3' ' CD1' ' A' ' 5' ' ' PHE . . . 59.66 158.48 0.1 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 70.55 5.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.791 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.613 ' CD1' ' HB3' ' A' ' 3' ' ' ALA . 19.4 m-85 -99.34 55.8 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.516 ' HA ' HD13 ' A' ' 9' ' ' ILE . 2.9 t70 46.84 66.24 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.2 m -105.31 24.1 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' C ' HD12 ' A' ' 9' ' ' ILE . . . -178.66 37.83 0.08 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.516 HD13 ' HA ' ' A' ' 6' ' ' ASP . 5.0 mp -140.82 75.12 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.56 0.8 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.484 ' HG2' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -117.12 23.16 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 109.319 179.954 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.484 HD23 ' HG2' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -169.4 50.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.514 ' HB2' HG23 ' A' ' 9' ' ' ILE . 3.1 m -147.57 37.14 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.994 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 12' ' ' SER . . . 32.45 68.61 0.15 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.17 -85.37 0.45 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 0.809 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.695 ' O ' ' HB3' ' A' ' 16' ' ' TYR . 0.0 OUTLIER 67.88 157.4 0.13 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.469 1.106 . . . . 0.0 110.334 -179.949 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.7 ' CD1' ' C ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER 80.82 -6.58 1.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.509 ' HB2' ' CD1' ' A' ' 16' ' ' TYR . 32.0 tp60 -123.13 -1.75 8.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER -74.67 0.14 16.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.09 -77.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.59 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 68.86 63.73 3.36 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.504 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 19.4 ttp180 -34.93 108.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 110.282 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 21' ' ' ARG . . . 71.53 126.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mt 44.48 85.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.515 0.198 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -165.44 -44.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.46 160.23 28.59 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.414 ' HG3' ' N ' ' A' ' 224' ' ' NH2 . 18.1 Cg_endo -75.01 -25.28 11.99 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.494 1.786 . . . . 0.0 110.955 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 55.63 167.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.599 1.187 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.448 ' C ' ' N ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -79.51 -165.06 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.749 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.9 OUTLIER 37.95 32.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.622 ' H ' HD12 ' A' ' 9' ' ' ILE . . . -131.61 32.14 2.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.622 HD12 ' H ' ' A' ' 8' ' ' GLY . 3.0 mp -137.92 99.46 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 109.236 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 12' ' ' SER . 16.1 mttm -54.26 -171.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' LYS . 4.2 mm? -39.89 96.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER 168.43 -31.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.162 . . . . 0.0 109.992 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 14' ' ' ALA . . . -133.38 105.69 0.59 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.621 ' O ' ' CG ' ' A' ' 15' ' ' GLN . . . -47.04 -94.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.791 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.636 ' O ' ' CB ' ' A' ' 16' ' ' TYR . 3.7 mt-30 153.01 142.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.389 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.636 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.2 OUTLIER 153.37 37.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER 69.98 8.22 6.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 110.255 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 54.21 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -52.97 -45.15 67.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.627 179.92 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . 57.57 34.04 68.48 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.609 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER 39.16 -160.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 0.792 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 21' ' ' ARG . . . 77.37 -70.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.03 145.16 27.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . 0.414 ' N ' ' HG3' ' A' ' 4' ' ' PRO . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -43.79 -45.69 7.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.586 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.62 60.19 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.33 91.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 0.761 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.584 ' O ' ' CD2' ' A' ' 5' ' ' PHE . 18.0 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 4' ' ' PRO . 1.7 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 111.046 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 20' ' ' GLY . 8.3 tt0 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.03 -77.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 109.608 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . 119.29 59.28 0.26 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -34.8 106.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.451 -0.375 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.11 -77.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.48 1.112 . . . . 0.0 109.557 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 134.74 -54.99 0.74 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.21 -68.08 0.2 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.493 0.76 . . . . 0.0 110.34 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 179.931 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.848 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' GLY . 16.2 tt0 . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.05 -77.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.589 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 138.07 -55.16 0.68 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 39.1 47.37 1.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.777 . . . . 0.0 110.357 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.228 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.922 0 N-CA-C 110.994 -0.425 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 20' ' ' GLY . 3.6 tp60 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.1 -77.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.62 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 149.9 -58.57 0.45 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 66.96 141.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.412 0.713 . . . . 0.0 110.294 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.905 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 111.039 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' GLY . 17.6 tp60 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 63.91 -77.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.075 . . . . 0.0 109.635 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 147.78 82.88 0.04 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.07 91.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.769 . . . . 0.0 110.253 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -43.37 -39.07 2.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.582 1.176 . . . . 0.0 109.588 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.51 -46.62 1.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.44 101.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.5 0.765 . . . . 0.0 110.334 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.415 1.072 . . . . 0.0 109.329 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 111.043 -0.406 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' GLY . 14.6 tt0 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.05 -77.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.65 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 57.4 52.35 52.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.458 1.099 . . . . 0.0 111.068 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.61 168.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 110.263 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 180.0 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.034 -0.41 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.99 -86.2 0.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.579 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.47 52.75 3.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.35 134.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 0.793 . . . . 0.0 110.293 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 109.292 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 111.007 -0.421 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.9 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 110.959 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' GLY . 8.1 tt0 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 63.99 -77.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 165.56 -65.82 0.21 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.55 117.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.586 0.815 . . . . 0.0 110.241 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 179.954 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.859 0 N-CA-C 110.958 -0.439 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.642 ' CZ ' ' NE2' ' A' ' 19' ' ' HIS . 5.9 m-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 111.059 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.7 tt0 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.642 ' NE2' ' CZ ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER 64.09 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.56 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 21' ' ' ARG . . . -134.93 -81.69 0.15 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.513 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 156.3 -34.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 0.771 . . . . 0.0 110.248 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 21' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.18 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.815 0 N-CA-C 110.966 -0.436 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 20' ' ' GLY . 3.0 tt0 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.01 -77.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.625 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 160.79 -57.29 0.31 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.423 1.077 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.94 136.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 110.241 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.833 0 N-CA-C 111.052 -0.403 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.429 1.081 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.03 -77.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.611 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 21' ' ' ARG . . . -174.32 -57.41 0.05 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.13 . . . . 0.0 110.982 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.542 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.3 OUTLIER 155.45 90.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 0.783 . . . . 0.0 110.298 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.534 ' O ' ' CG ' ' A' ' 5' ' ' PHE . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 4' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -40.89 -43.42 2.06 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.579 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . 128.94 92.29 0.69 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.436 1.085 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' GLY . 6.4 ttt180 -34.93 130.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.791 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.128 . . . . 0.0 109.344 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.827 0 N-CA-C 110.986 -0.428 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.42 ' O ' ' O ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 18' ' ' GLN . 15.2 m170 43.27 -167.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.112 . . . . 0.0 109.543 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 135.56 -17.08 4.01 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 54.98 95.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 110.338 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.935 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.27 -82.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.59 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.491 ' O ' ' CG ' ' A' ' 21' ' ' ARG . . . -71.67 -68.89 1.5 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.643 ' NH1' ' HB2' ' A' ' 22' ' ' ALA . 37.4 ptt85 44.82 -168.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.643 ' HB2' ' NH1' ' A' ' 21' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.462 ' O ' ' CD2' ' A' ' 5' ' ' PHE . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.462 ' CD2' ' O ' ' A' ' 4' ' ' PRO . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -98.35 -88.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.568 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.521 ' O ' ' CB ' ' A' ' 21' ' ' ARG . . . 144.42 -49.78 0.68 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.044 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 156.07 142.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.764 . . . . 0.0 110.362 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.837 0 N-CA-C 110.958 -0.439 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -40.18 -82.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.629 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.51 ' O ' ' CD ' ' A' ' 21' ' ' ARG . . . 69.07 52.22 24.48 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.428 1.08 . . . . 0.0 111.038 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 20' ' ' GLY . 0.3 OUTLIER 168.43 167.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 0.805 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.925 0 N-CA-C 111.032 -0.411 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.01 -77.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.612 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . 166.47 65.98 0.03 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -34.75 113.43 0.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 0.784 . . . . 0.0 110.308 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.933 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.93 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.506 ' CG ' ' O ' ' A' ' 18' ' ' GLN . 9.8 tt0 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.326 -0.249 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -67.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.612 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 161.08 -63.26 0.28 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.536 1.147 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.89 111.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 110.369 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.17 . . . . 0.0 109.3 -179.991 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.463 ' O ' ' CG ' ' A' ' 5' ' ' PHE . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.949 -0.443 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.463 ' CG ' ' O ' ' A' ' 4' ' ' PRO . 9.5 m-85 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 18' ' ' GLN . 7.3 tm0? . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.99 -83.99 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.597 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . 167.12 65.21 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.093 . . . . 0.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' GLY . 1.8 mmt-85 -34.89 124.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 0.796 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.992 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.951 -0.442 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 179.939 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -79.44 -92.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.64 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -172.97 -50.99 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.57 1.169 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 56.42 163.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 110.388 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 -179.961 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 5' ' ' PHE . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.949 0 N-CA-C 110.975 -0.433 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -84.01 -72.44 0.46 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.574 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 21' ' ' ARG . . . 140.56 -47.37 0.88 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.586 1.178 . . . . 0.0 111.024 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.533 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER 154.81 96.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 0.797 . . . . 0.0 110.273 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 21' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 110.96 -0.438 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.944 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.3 -74.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.618 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.508 ' O ' ' CD ' ' A' ' 21' ' ' ARG . . . 161.16 -67.35 0.25 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.448 1.093 . . . . 0.0 111.043 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.508 ' CD ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 157.84 108.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.34 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.988 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.816 0 N-CA-C 110.938 -0.447 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 111.07 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -170.19 -77.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.49 1.119 . . . . 0.0 109.566 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 22' ' ' ALA . . . 154.9 -57.21 0.4 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 68.93 -63.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.751 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 20' ' ' GLY . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.942 -0.445 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.2 -56.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.614 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.22 69.11 1.44 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.26 120.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 0.0 110.272 179.931 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.998 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.997 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' GLY . 3.8 tm0? . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.06 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.585 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . 83.9 77.92 1.12 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 20' ' ' GLY . 10.4 ptt180 -34.85 127.65 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 0.787 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.978 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.913 0 N-CA-C 110.931 -0.45 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.96 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.09 -77.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.59 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 68.86 63.73 3.36 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.504 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 19.4 ttp180 -34.93 108.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 110.282 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 21' ' ' ARG . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.835 0 N-CA-C 110.955 -0.44 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.599 1.187 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.97 -45.15 67.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.627 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . 57.57 34.04 68.48 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.609 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER 39.16 -160.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 0.792 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 21' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 . . . . . 0 N--CA 1.451 -0.38 0 CA-C-O 120.562 0.22 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 48.9 t30 177.49 93.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -131.08 73.59 80.62 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -15.04 21.07 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.443 1.759 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -119.48 178.63 4.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.558 ' OD1' HG21 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -119.24 -1.02 10.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 7' ' ' VAL . 61.7 t -70.24 60.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 145.27 44.98 0.04 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.659 HG23 ' HB2' ' A' ' 12' ' ' SER . 2.6 tp -94.74 22.36 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.753 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 9' ' ' ILE . 2.0 mttp 39.32 70.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.368 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 13' ' ' GLY . 0.7 OUTLIER 76.18 -84.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.659 ' HB2' HG23 ' A' ' 9' ' ' ILE . 0.7 OUTLIER 38.77 31.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -37.2 -31.22 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 12' ' ' SER . . . -40.9 -90.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.551 ' HG3' ' CD2' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -108.84 -145.9 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.551 ' CD2' ' HG3' ' A' ' 15' ' ' GLN . 9.2 p90 -128.86 -40.75 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.422 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 51.6 mt-30 -128.9 4.16 5.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 110.351 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 38.99 58.06 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.317 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -43.79 -45.69 7.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.586 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.62 60.19 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.33 91.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 0.761 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -172.77 106.66 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 mt 40.74 77.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.517 0.199 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -119.04 -41.56 2.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -176.1 156.12 1.57 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.584 ' O ' ' CD2' ' A' ' 5' ' ' PHE . 18.0 Cg_endo -74.98 -22.24 15.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.532 1.806 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 4' ' ' PRO . 1.7 m-85 176.26 79.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 111.046 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.689 ' O ' HG22 ' A' ' 7' ' ' VAL . 45.8 t0 -172.79 172.23 4.17 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 109.225 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.689 HG22 ' O ' ' A' ' 6' ' ' ASP . 10.3 m 49.13 23.82 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.38 41.94 0.23 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.115 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mp -77.04 99.27 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -123.72 33.34 5.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -172.32 -61.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -47.86 106.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.971 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.99 64.99 2.65 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.09 -98.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 0.752 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.518 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -115.07 -146.8 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.073 . . . . 0.0 110.281 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.518 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 2.4 p90 -128.22 -40.4 1.65 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -128.6 3.94 5.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 20' ' ' GLY . 8.3 tt0 39.87 44.9 1.45 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.52 1.137 . . . . 0.0 110.268 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.03 -77.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 109.608 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . 119.29 59.28 0.26 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -34.8 106.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 42.05 90.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.5 mt -51.07 104.4 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.419 0 O-C-N 124.394 1.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.512 0.196 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.95 -45.74 93.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.558 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . -176.89 166.15 1.43 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 0.0 109.244 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.558 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 18.6 Cg_endo -74.98 -21.1 16.25 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.464 1.771 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -116.42 -171.32 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.447 ' CB ' HD13 ' A' ' 9' ' ' ILE . 1.3 m-20 -125.19 -89.87 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.424 HG12 ' C ' ' A' ' 6' ' ' ASP . 2.9 p 41.08 81.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.353 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.9 40.87 0.43 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.447 HD13 ' CB ' ' A' ' 6' ' ' ASP . 4.3 mp -141.29 80.12 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 109.257 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -63.65 -161.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 12' ' ' SER . 12.8 mt -40.45 101.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.583 1.177 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER 159.19 -25.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 110.027 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.14 -94.12 2.27 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 0.0 111.059 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -171.97 -93.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 0.732 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -110.81 -146.59 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -128.54 -40.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 111.043 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -128.63 3.82 5.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.231 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.5 OUTLIER 40.47 61.29 1.64 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.11 -77.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.48 1.112 . . . . 0.0 109.557 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 134.74 -54.99 0.74 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.21 -68.08 0.2 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.493 0.76 . . . . 0.0 110.34 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.66 133.37 55.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 pp -131.39 144.06 50.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 3' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.579 0.228 . . . . 0.0 111.046 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.416 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 17.3 m-20 60.6 -84.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 1' ' ' PHE . . . 67.04 156.07 0.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 89.32 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.596 1.84 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.441 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 0.3 OUTLIER -41.35 104.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 0.0 110.959 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' A' ' 5' ' ' PHE . 3.2 t0 159.99 86.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.8 t -100.58 70.46 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.63 28.18 36.41 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.583 1.177 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.6 mt -102.8 120.79 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -116.85 65.12 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 69.15 45.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.359 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.56 -8.66 17.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.933 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.17 -66.85 0.56 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -143.91 -93.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.529 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -116.26 -141.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.529 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 2.9 p90 -133.5 89.91 2.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 54.01 16.61 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' GLY . 16.2 tt0 39.47 59.9 1.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.05 -77.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.589 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 138.07 -55.16 0.68 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 39.1 47.37 1.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.777 . . . . 0.0 110.357 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.21 -60.03 2.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.228 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 224' ' ' NH2 . 0.9 OUTLIER -163.57 -54.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . 0.58 ' N ' HD12 ' A' ' 23' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.6 t80 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.559 0.219 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.55 -45.55 1.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 58.74 158.58 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 166.2 29.6 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.475 1.777 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -108.27 87.76 2.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -118.55 61.76 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 7' ' ' VAL . 33.8 m -101.92 95.62 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.23 44.22 3.57 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 9' ' ' ILE . 2.5 tp -65.38 110.69 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.79 . . . . 0.0 109.383 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.536 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.1 mtpm? -100.52 56.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.536 HD23 ' O ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER 174.88 -36.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -100.9 20.43 15.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.998 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.74 75.32 0.05 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' SER . . . -134.44 -81.93 0.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 0.807 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.567 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -115.03 -141.36 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.567 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 2.8 p90 -133.21 89.65 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 54.01 16.61 1.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 20' ' ' GLY . 3.6 tp60 39.83 57.3 2.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.1 -77.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.62 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 149.9 -58.57 0.45 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 66.96 141.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.412 0.713 . . . . 0.0 110.294 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -130.59 146.39 52.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.77 78.75 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 109.309 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.576 1.173 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.509 0.195 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.8 p30 178.59 90.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 0.0 109.257 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.41 ' N ' ' HD3' ' A' ' 4' ' ' PRO . . . -178.02 64.48 0.18 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 18.3 Cg_endo -74.97 59.34 5.14 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.354 1.713 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -151.02 54.3 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.22 94.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.0 m -136.49 13.31 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.617 ' C ' HD12 ' A' ' 9' ' ' ILE . . . 85.31 -44.14 3.33 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.617 HD12 ' C ' ' A' ' 8' ' ' GLY . 3.4 mp 56.0 105.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 0.729 . . . . 0.0 109.364 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.86 122.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 mp 49.98 61.12 3.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.76 103.46 14.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.707 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . -92.19 -30.54 9.99 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 13' ' ' GLY . . . 162.3 124.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.743 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.421 ' CD ' ' CB ' ' A' ' 18' ' ' GLN . 14.2 mp0 -60.32 -129.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -135.26 -42.35 0.71 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 19' ' ' HIS . 54.4 mt-30 -116.14 4.3 13.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' GLY . 17.6 tp60 -69.19 61.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER 63.91 -77.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.075 . . . . 0.0 109.635 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 147.78 82.88 0.04 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.07 91.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.769 . . . . 0.0 110.253 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.66 -60.62 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.8 mt -42.96 138.68 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.275 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.403 1.064 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.471 0.177 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -140.64 91.01 2.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 42.06 66.73 3.8 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -22.42 14.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 40.73 88.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.435 ' HA ' HD13 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -136.44 53.85 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.436 ' O ' HG22 ' A' ' 7' ' ' VAL . 1.8 p -113.86 81.74 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.361 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 152.36 -40.21 0.74 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.535 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.2 mp -48.9 100.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 tttm -90.78 -149.59 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.249 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.18 -18.64 64.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.91 -7.86 43.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.432 ' HA3' HG23 ' A' ' 9' ' ' ILE . . . -93.78 -76.15 1.32 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.439 1.087 . . . . 0.0 111.04 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 13' ' ' GLY . . . -179.37 -85.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 0.729 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.543 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -116.53 -140.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.221 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.543 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 2.6 p90 -133.53 89.83 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? 53.07 17.5 0.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.53 0.92 15.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.426 1.078 . . . . 0.0 110.282 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -43.37 -39.07 2.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.582 1.176 . . . . 0.0 109.588 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.51 -46.62 1.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.44 101.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.5 0.765 . . . . 0.0 110.334 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.11 172.28 13.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.415 1.072 . . . . 0.0 109.329 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.76 72.26 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.525 0.202 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -173.85 -40.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.43 158.79 45.48 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -89.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.465 1.771 . . . . 0.0 111.043 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 37.81 79.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.675 ' HA ' HD11 ' A' ' 9' ' ' ILE . 8.5 t70 68.8 90.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 7' ' ' VAL . 21.3 m -86.32 67.57 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' LYS . . . 37.83 38.14 0.47 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.675 HD11 ' HA ' ' A' ' 6' ' ' ASP . 1.9 mp -40.55 98.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 109.281 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -45.45 99.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 12' ' ' SER . 0.2 OUTLIER 75.89 75.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.369 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.522 ' HB2' HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER 158.51 -25.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.958 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.668 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . -95.25 -131.73 6.62 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 13' ' ' GLY . . . 164.81 -90.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.496 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -116.8 -141.17 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 110.283 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.496 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 2.9 p90 -133.55 89.98 2.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 53.9 16.66 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.349 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' GLY . 14.6 tt0 40.09 57.69 2.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.05 -77.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.65 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 57.4 52.35 52.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.458 1.099 . . . . 0.0 111.068 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.61 168.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 110.263 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.29 64.5 1.18 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -71.87 125.75 27.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.49 0.186 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -82.02 69.47 8.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.374 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.471 ' HB3' ' OD1' ' A' ' 6' ' ' ASP . . . -94.29 156.4 38.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 158.72 41.86 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.481 1.779 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 67.5 8.77 6.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.471 ' OD1' ' HB3' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -138.51 -166.73 2.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.448 HG22 ' C ' ' A' ' 6' ' ' ASP . 24.3 m 42.93 60.22 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 10' ' ' LYS . . . 165.14 -29.15 0.21 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.665 ' O ' HG23 ' A' ' 9' ' ' ILE . 4.3 tp -60.41 86.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 0.741 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -89.82 144.07 26.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 12' ' ' SER . 5.0 mp 44.47 79.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER 158.36 -25.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.005 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.11 -116.18 3.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -175.64 -84.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 0.772 . . . . 0.0 109.323 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.533 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -116.47 -141.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.266 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.533 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 2.9 p90 -133.41 89.75 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 53.19 17.38 0.98 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.11 0.45 16.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.99 -86.2 0.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.579 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.47 52.75 3.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.437 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 0.0 OUTLIER 73.35 134.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 0.793 . . . . 0.0 110.293 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.6 -64.9 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 21' ' ' ARG . 18.1 mt 44.19 90.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.491 0.186 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.3 p30 168.55 124.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.405 ' N ' ' HD3' ' A' ' 4' ' ' PRO . . . -156.41 65.11 3.84 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.518 ' HB2' HG23 ' A' ' 7' ' ' VAL . 18.5 Cg_endo -74.91 -23.59 13.85 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.549 1.815 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.478 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 15.9 t80 48.13 77.87 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 5' ' ' PHE . 1.1 m-20 157.53 -25.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.518 HG23 ' HB2' ' A' ' 4' ' ' PRO . 42.6 t -70.12 59.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 146.51 45.26 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.664 ' O ' HG23 ' A' ' 9' ' ' ILE . 3.2 tp -100.33 73.52 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 0.0 109.295 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -86.37 78.36 9.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 12' ' ' SER . 0.3 OUTLIER 64.57 105.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 0.9 OUTLIER 158.43 -25.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.586 ' HA3' HD11 ' A' ' 9' ' ' ILE . . . -106.81 -101.82 2.75 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -176.68 -88.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 0.766 . . . . 0.0 109.293 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.516 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -116.37 -141.17 0.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.312 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.516 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 3.0 p90 -133.58 89.93 2.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 54.01 16.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' GLY . 8.1 tt0 40.13 58.15 2.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 63.99 -77.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 165.56 -65.82 0.21 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.55 117.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.586 0.815 . . . . 0.0 110.241 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.37 142.63 51.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 23' ' ' LEU . 1.8 pp -142.67 93.25 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.486 0.184 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 3' ' ' ALA . 8.5 m-80 -42.36 -43.09 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' ASN . . . 40.47 79.29 0.33 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.238 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -177.31 3.39 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.481 1.779 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.642 ' CZ ' ' NE2' ' A' ' 19' ' ' HIS . 5.9 m-85 -120.94 -0.8 9.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 111.059 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 5' ' ' PHE . 3.7 t0 161.02 79.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 7' ' ' VAL . 4.8 p -115.78 40.13 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.05 7.81 40.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.636 ' O ' HG23 ' A' ' 9' ' ' ILE . 5.5 tt -40.54 101.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 109.342 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -111.44 30.54 6.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tp -147.19 22.68 1.19 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 t -95.9 107.89 20.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.04 71.06 0.21 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.595 1.185 . . . . 0.0 110.977 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.71 -99.28 0.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 0.754 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.53 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -116.85 -140.91 0.37 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.53 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 2.9 p90 -133.51 89.84 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 53.19 17.37 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.7 tt0 -78.01 3.76 13.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.642 ' NE2' ' CZ ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER 64.09 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.56 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 21' ' ' ARG . . . -134.93 -81.69 0.15 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.513 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 156.3 -34.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 0.771 . . . . 0.0 110.248 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 21' ' ' ARG . . . 71.59 -62.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.18 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 mt -54.46 97.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.471 0.177 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 176.88 139.74 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.511 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . -59.03 165.28 3.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.511 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 18.3 Cg_endo -74.99 116.96 4.74 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.533 1.807 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -150.73 58.7 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.575 ' O ' HG22 ' A' ' 7' ' ' VAL . 1.5 p30 -160.11 -176.71 5.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 6' ' ' ASP . 27.4 m 47.16 25.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -158.45 25.01 0.38 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 mp -148.93 130.3 5.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.412 0.713 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 12' ' ' SER . 4.8 ttmm -73.09 59.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' ALA . 3.7 mp 68.22 -69.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.599 1.187 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 10' ' ' LYS . 27.8 t 43.8 -100.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.701 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . -117.28 41.78 2.01 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 13' ' ' GLY . . . 161.47 128.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 0.74 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.598 ' OE1' ' CD1' ' A' ' 16' ' ' TYR . 3.0 tt0 -60.58 -137.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.598 ' CD1' ' OE1' ' A' ' 15' ' ' GLN . 1.4 p90 -131.47 -39.7 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -129.99 4.75 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.354 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 20' ' ' GLY . 3.0 tt0 38.99 64.5 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.312 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.01 -77.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.625 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 160.79 -57.29 0.31 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.423 1.077 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.94 136.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 110.241 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -154.71 62.08 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 pp -77.47 143.54 38.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.366 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 2' ' ' ASN . 46.2 p90 . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.53 0.205 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.662 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 2.0 m-20 -94.89 87.94 5.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.366 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.837 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . 165.71 -53.97 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.837 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 18.4 Cg_endo -74.94 177.03 9.1 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.484 1.781 . . . . 0.0 111.052 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.512 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 0.4 OUTLIER 58.47 96.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.429 1.081 . . . . 0.0 110.939 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER 155.5 -24.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.2 m -87.16 11.21 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.13 30.78 0.22 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.472 ' CD1' ' CE2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -109.4 112.4 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -96.54 132.98 41.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 tp 43.32 56.75 4.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.1 m -166.3 31.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.692 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . -97.28 -97.28 1.93 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 13' ' ' GLY . . . 84.0 -65.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.731 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.562 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -128.78 -138.4 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.562 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 3.1 p90 -135.08 90.85 2.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 52.31 17.9 0.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.344 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.5 OUTLIER -74.85 0.22 16.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.03 -77.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.611 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 21' ' ' ARG . . . -174.32 -57.41 0.05 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.13 . . . . 0.0 110.982 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.542 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.3 OUTLIER 155.45 90.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 0.783 . . . . 0.0 110.298 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -169.56 -62.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.9 mt -89.4 173.43 8.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.449 0.166 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.677 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 4.5 t-20 -132.14 -153.23 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.817 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . 164.61 -53.27 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.27 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.817 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 18.2 Cg_endo -75.02 -89.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.407 1.74 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 4' ' ' PRO . 0.3 OUTLIER 161.86 -25.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.51 ' C ' HG23 ' A' ' 7' ' ' VAL . 2.2 p-10 -157.02 -156.36 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.36 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.51 HG23 ' C ' ' A' ' 6' ' ' ASP . 3.3 t 75.86 12.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.599 1.187 . . . . 0.0 109.291 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.37 32.63 0.16 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.591 HG23 ' HB2' ' A' ' 12' ' ' SER . 2.7 tp -87.17 83.27 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.757 . . . . 0.0 109.261 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 12' ' ' SER . 6.5 tttp 49.37 -162.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.67 64.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.356 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.591 ' HB2' HG23 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -85.15 102.83 13.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.514 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . -112.67 80.09 0.27 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 13' ' ' GLY . . . 174.87 -94.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.426 0.721 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.549 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -116.03 -141.03 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.549 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 2.8 p90 -133.36 89.71 2.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.075 . . . . 0.0 110.997 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 53.17 17.38 0.96 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.78 0.22 16.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -40.89 -43.42 2.06 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.579 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . 128.94 92.29 0.69 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.436 1.085 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' GLY . 6.4 ttt180 -34.93 130.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.791 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.99 99.27 9.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.128 . . . . 0.0 109.344 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.6 mt -48.81 114.54 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.513 0.197 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -100.86 -36.37 9.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.454 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . -174.31 163.28 2.77 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.585 1.178 . . . . 0.0 109.236 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.454 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 18.5 Cg_endo -75.04 -178.09 3.93 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.414 1.744 . . . . 0.0 110.986 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -107.26 -161.97 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.657 ' HB3' HD13 ' A' ' 9' ' ' ILE . 5.9 m-20 -172.09 92.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 7' ' ' VAL . 31.1 m -87.01 94.1 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.47 49.54 0.7 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.472 1.107 . . . . 0.0 110.947 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.721 HG23 ' N ' ' A' ' 10' ' ' LYS . 1.5 tp -89.45 -168.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 0.794 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.721 ' N ' HG23 ' A' ' 9' ' ' ILE . 0.6 OUTLIER 62.48 128.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 69.25 -73.34 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.65 15.27 8.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.034 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.698 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . -103.43 -56.15 0.78 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.53 1.143 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 13' ' ' GLY . . . 84.1 -66.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.566 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -128.73 -138.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.287 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.566 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 3.2 p90 -135.11 90.76 2.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.461 1.101 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 52.45 17.8 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.42 ' O ' ' O ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -74.9 0.31 16.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 18' ' ' GLN . 15.2 m170 43.27 -167.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.112 . . . . 0.0 109.543 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 135.56 -17.08 4.01 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 54.98 95.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 110.338 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 58.3 162.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 mp 40.66 86.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.572 0.225 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 41.2 62.81 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.66 88.22 0.29 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 57.36 4.51 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.478 1.778 . . . . 0.0 111.028 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -112.91 177.03 4.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -110.51 86.0 2.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 7' ' ' VAL . 34.8 m -127.19 84.21 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.93 39.09 2.06 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.491 1.12 . . . . 0.0 111.02 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.613 ' O ' HG23 ' A' ' 9' ' ' ILE . 6.4 tp -116.24 100.89 11.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.458 0.74 . . . . 0.0 109.356 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 12' ' ' SER . 0.3 OUTLIER -66.08 -163.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.372 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.844 HD13 ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -36.25 98.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER 165.72 -29.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.668 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . -92.1 -57.59 1.47 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 13' ' ' GLY . . . 84.18 -65.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 0.727 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.554 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -128.67 -138.35 0.23 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.554 ' CD1' ' HG3' ' A' ' 15' ' ' GLN . 3.2 p90 -135.14 90.78 2.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.405 1.066 . . . . 0.0 111.047 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 52.38 17.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -74.77 0.15 16.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 110.291 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.27 -82.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.59 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.491 ' O ' ' CG ' ' A' ' 21' ' ' ARG . . . -71.67 -68.89 1.5 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.643 ' NH1' ' HB2' ' A' ' 22' ' ' ALA . 37.4 ptt85 44.82 -168.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.643 ' HB2' ' NH1' ' A' ' 21' ' ' ARG . . . 66.2 111.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.47 -51.25 0.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.556 0.217 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 65.05 81.49 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 44.42 81.35 0.26 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 0.0 109.299 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.462 ' O ' ' CD2' ' A' ' 5' ' ' PHE . 18.2 Cg_endo -74.94 79.74 2.58 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.537 1.809 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.462 ' CD2' ' O ' ' A' ' 4' ' ' PRO . 0.6 OUTLIER 173.27 -168.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -115.41 74.12 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.2 t -129.82 52.19 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.506 ' C ' HD12 ' A' ' 9' ' ' ILE . . . 113.95 23.12 5.07 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.781 ' N ' HD12 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -143.82 165.05 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 109.225 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 12' ' ' SER . 10.4 tttp 41.62 -143.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.249 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.548 ' O ' ' CB ' ' A' ' 12' ' ' SER . 0.3 OUTLIER -39.91 -29.86 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 2.6 p 89.19 -21.68 0.13 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 12' ' ' SER . . . 33.17 91.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' GLY . . . -38.7 -76.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -85.98 -130.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.331 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.6 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -138.24 91.35 2.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 51.31 18.76 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.403 ' N ' ' C ' ' A' ' 16' ' ' TYR . 36.0 tt0 40.25 52.93 2.86 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.488 1.118 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -98.35 -88.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.568 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.521 ' O ' ' CB ' ' A' ' 21' ' ' ARG . . . 144.42 -49.78 0.68 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.044 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 156.07 142.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.764 . . . . 0.0 110.362 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.56 113.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.62 -66.22 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.532 0.206 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -89.57 86.01 6.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.5 114.39 47.19 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 134.57 17.82 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.511 1.795 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.533 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 10.7 t80 -113.4 95.09 5.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER 153.61 -22.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.344 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 m -70.07 56.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' ASP . . . 151.02 45.05 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.567 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -136.51 105.7 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 109.282 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.82 162.14 13.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mp 40.67 43.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.468 ' CB ' HG12 ' A' ' 9' ' ' ILE . 1.6 p -116.49 107.76 15.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.962 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.689 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . -63.55 75.62 0.04 OUTLIER Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 13' ' ' GLY . . . 163.14 121.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.406 0.709 . . . . 0.0 109.275 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -69.78 -116.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.466 ' HB3' ' CB ' ' A' ' 6' ' ' ASP . 2.8 p90 -145.34 93.74 2.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 111.052 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 49.0 20.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 110.311 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 16' ' ' TYR . 51.4 tt0 39.61 58.7 1.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -40.18 -82.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.629 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.51 ' O ' ' CD ' ' A' ' 21' ' ' ARG . . . 69.07 52.22 24.48 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.428 1.08 . . . . 0.0 111.038 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 20' ' ' GLY . 0.3 OUTLIER 168.43 167.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 0.805 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.8 -57.51 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.0 mt 44.35 81.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.574 0.226 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 5' ' ' PHE . 1.5 m-20 -161.23 119.76 2.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.867 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . -78.98 -55.19 0.97 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.385 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.867 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 18.2 Cg_endo -75.02 -14.19 21.17 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.483 1.781 . . . . 0.0 111.032 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.472 ' CB ' ' HB3' ' A' ' 2' ' ' ASN . 0.2 OUTLIER -116.84 153.32 32.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.956 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.598 ' OD1' ' CD1' ' A' ' 16' ' ' TYR . 1.6 t70 -113.23 -16.22 12.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' ASP . 1.6 t 39.98 65.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 149.81 45.24 0.03 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.534 HD11 ' HB3' ' A' ' 6' ' ' ASP . 20.2 mt -98.42 113.52 33.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.457 0.739 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 11' ' ' LEU . 7.7 mttt -164.25 79.19 0.38 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.408 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER 81.23 80.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.7 p -140.07 103.58 4.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.944 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.17 76.63 1.92 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.467 1.104 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.457 ' HB2' ' HG3' ' A' ' 18' ' ' GLN . . . 64.64 111.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -163.85 -43.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.598 ' CD1' ' OD1' ' A' ' 6' ' ' ASP . 39.7 p90 -134.87 -43.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.036 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.522 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 1.1 mt-30 -142.13 14.65 2.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.399 1.062 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.457 ' HG3' ' HB2' ' A' ' 14' ' ' ALA . 0.4 OUTLIER 38.72 60.42 1.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.01 -77.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.612 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . 166.47 65.98 0.03 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -34.75 113.43 0.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 0.784 . . . . 0.0 110.308 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 47.04 93.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.4 mt -46.72 -63.16 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.237 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.403 1.064 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.509 0.195 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.633 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 4.7 m-20 -53.58 -41.04 66.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.633 ' HB2' ' O ' ' A' ' 2' ' ' ASN . . . 168.22 160.33 0.16 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -22.16 15.08 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.495 1.787 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 46.32 94.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.421 ' HB3' ' CD2' ' A' ' 19' ' ' HIS . 1.2 m-20 -134.18 82.44 1.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.6 m -137.24 57.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 159.37 49.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.565 1.166 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.524 ' O ' HG22 ' A' ' 9' ' ' ILE . 4.5 mp -135.04 57.0 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 mptt 43.78 -165.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.97 53.68 2.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.5 t -100.54 -8.7 22.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 110.003 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.86 -137.43 7.45 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.65 -47.05 0.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.333 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -167.02 -40.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 18' ' ' GLN . 2.4 p90 -144.32 -135.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 111.076 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.493 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 72.1 mt-30 -59.44 -6.63 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.569 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 9.8 tt0 -79.56 62.16 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.602 1.189 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.421 ' CD2' ' HB3' ' A' ' 6' ' ' ASP . 0.0 OUTLIER -60.87 -67.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.612 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 161.08 -63.26 0.28 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.536 1.147 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.89 111.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 110.369 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -172.19 95.33 0.15 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.17 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.62 176.12 5.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.516 ' CE2' ' HB2' ' A' ' 2' ' ' ASN . 20.5 p90 . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.542 0.211 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.516 ' HB2' ' CE2' ' A' ' 1' ' ' PHE . 0.9 OUTLIER -125.1 -44.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -162.11 85.51 1.57 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.463 ' O ' ' CG ' ' A' ' 5' ' ' PHE . 18.2 Cg_endo -75.03 111.19 3.27 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.437 1.756 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.463 ' CG ' ' O ' ' A' ' 4' ' ' PRO . 9.5 m-85 -167.77 49.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.498 ' OD2' ' CB ' ' A' ' 15' ' ' GLN . 0.6 OUTLIER -128.41 66.11 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.916 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.4 m -126.67 77.24 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.424 1.078 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 134.58 46.51 0.1 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.912 HG21 ' CB ' ' A' ' 14' ' ' ALA . 1.4 tp -150.21 116.6 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 0.757 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' C ' HD12 ' A' ' 11' ' ' LEU . 2.1 mttp -70.17 61.01 0.2 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.439 HD12 ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 40.29 87.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.384 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -151.52 -60.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.23 75.23 0.37 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.912 ' CB ' HG21 ' A' ' 9' ' ' ILE . . . -158.71 -77.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.763 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.498 ' CB ' ' OD2' ' A' ' 6' ' ' ASP . 3.0 tp-100 -157.71 -95.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.395 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.417 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 0.1 OUTLIER 174.52 -31.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 110.988 179.943 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 19' ' ' HIS . 86.6 mt-30 -74.05 1.29 11.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' A' ' 6' ' ' ASP . 7.3 tm0? -63.46 76.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.313 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -128.99 -83.99 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.597 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . 167.12 65.21 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.093 . . . . 0.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' GLY . 1.8 mmt-85 -34.89 124.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 0.796 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.27 -55.67 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.508 HD12 ' C ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -96.55 135.35 38.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.438 ' O ' ' CB ' ' A' ' 2' ' ' ASN . 9.6 m-85 . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.516 0.198 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 1' ' ' PHE . 2.0 t-20 78.58 -56.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -131.3 78.52 72.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -17.65 19.23 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.568 1.825 . . . . 0.0 110.951 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -127.78 170.23 12.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.533 ' O ' HG13 ' A' ' 7' ' ' VAL . 17.2 m-20 -113.37 116.85 30.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 6' ' ' ASP . 0.3 OUTLIER -156.01 41.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.952 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.72 ' H ' HD12 ' A' ' 9' ' ' ILE . . . -163.88 52.12 0.29 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.72 HD12 ' H ' ' A' ' 8' ' ' GLY . 4.8 mp -143.06 91.92 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 0.802 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.431 ' HD3' ' CE1' ' A' ' 19' ' ' HIS . 14.9 mtmt -109.34 21.71 16.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 12' ' ' SER . 0.3 OUTLIER -179.76 82.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.341 -179.955 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER 159.87 -24.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.976 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.488 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . -60.04 -128.19 0.01 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 13' ' ' GLY . . . 70.85 12.14 7.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.395 0.703 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -122.21 -37.13 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.269 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.467 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 3.5 p90 -133.77 -132.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 19' ' ' HIS . 1.8 mp0 -66.65 -1.9 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.177 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.4 ' H ' ' C ' ' A' ' 16' ' ' TYR . 4.8 tt0 53.43 -84.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.376 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' ' 17' ' ' GLN . 5.0 m170 -79.44 -92.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.64 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -172.97 -50.99 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.57 1.169 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 56.42 163.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 110.388 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.74 -51.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 mt -49.67 155.07 0.87 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.522 0.201 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.617 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.4 OUTLIER 174.71 91.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.844 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . 167.79 -54.68 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.844 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 18.1 Cg_endo -75.01 -28.58 9.03 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.2 OUTLIER 38.37 92.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 111.011 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -104.45 -13.67 15.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 7' ' ' VAL . 20.3 t -86.15 4.67 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.42 43.79 0.61 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.53 1.144 . . . . 0.0 111.053 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.646 HG23 ' N ' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -57.99 -160.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.306 -179.934 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.646 ' N ' HG23 ' A' ' 9' ' ' ILE . 0.4 OUTLIER 82.47 90.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 77.44 20.57 1.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.392 1.057 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -168.39 38.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.951 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.469 ' CA ' HG13 ' A' ' 9' ' ' ILE . . . -99.87 87.04 0.71 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 13' ' ' GLY . . . -54.05 -102.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 109.229 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.626 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -179.84 170.16 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.266 -179.953 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.702 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER 77.37 -47.24 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 110.981 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.599 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 1.0 OUTLIER -86.88 0.96 54.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.913 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -75.1 0.59 15.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.602 1.189 . . . . 0.0 110.247 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -84.01 -72.44 0.46 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.574 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 21' ' ' ARG . . . 140.56 -47.37 0.88 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.586 1.178 . . . . 0.0 111.024 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.533 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER 154.81 96.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 0.797 . . . . 0.0 110.273 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 21' ' ' ARG . . . 69.41 -65.45 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 21' ' ' ARG . 16.3 mt -51.08 -63.11 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.444 ' O ' ' CB ' ' A' ' 2' ' ' ASN . 1.2 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.531 0.205 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 1' ' ' PHE . 4.3 m-20 159.75 96.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 62.85 86.93 0.14 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 127.02 10.37 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.477 1.778 . . . . 0.0 110.96 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -102.46 -178.83 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -138.52 75.88 1.54 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 109.277 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.675 ' O ' HG12 ' A' ' 7' ' ' VAL . 54.1 t -132.22 61.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.4 -26.7 22.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 mp -40.96 104.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 109.271 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt 44.96 -167.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.441 1.088 . . . . 0.0 109.226 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.09 59.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 14' ' ' ALA . 8.0 t -101.6 -5.16 25.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.443 1.09 . . . . 0.0 110.057 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -37.14 91.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 12' ' ' SER . . . -109.57 -124.23 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.625 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 1.0 OUTLIER -178.38 168.1 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.706 ' CD1' ' C ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER 77.36 -47.29 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.594 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 37.6 tp60 -85.64 0.94 51.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.333 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -75.36 0.35 17.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.3 -74.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.618 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.508 ' O ' ' CD ' ' A' ' 21' ' ' ARG . . . 161.16 -67.35 0.25 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.448 1.093 . . . . 0.0 111.043 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.508 ' CD ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 157.84 108.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.34 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.81 155.79 7.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.58 -48.49 1.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.411 1.069 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.498 0.189 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.777 ' O ' ' CB ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -160.35 -49.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.916 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.824 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . 115.51 -53.68 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.824 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 18.4 Cg_endo -74.99 98.16 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.463 1.77 . . . . 0.0 110.938 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -87.84 14.45 8.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 111.07 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.601 ' O ' HG22 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -117.06 -179.98 3.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 6' ' ' ASP . 19.2 m 47.22 30.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.75 36.88 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.685 HG23 ' N ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -139.24 -160.05 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.368 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.685 ' N ' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -58.79 121.48 11.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 tp 47.39 76.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.9 21.8 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.969 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.8 55.21 0.68 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.93 -81.52 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.513 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -116.67 -141.04 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.575 ' HA ' HG12 ' A' ' 7' ' ' VAL . 3.0 p90 -133.42 89.91 2.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.595 1.184 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.521 ' O ' ' N ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER 53.11 17.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.332 -179.966 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 63.01 -71.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 110.318 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.521 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -170.19 -77.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.49 1.119 . . . . 0.0 109.566 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 22' ' ' ALA . . . 154.9 -57.21 0.4 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 68.93 -63.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.751 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 20' ' ' GLY . . . -177.19 -59.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.7 mt -83.88 -66.04 0.94 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.451 0.167 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 179.55 -48.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.216 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.86 154.77 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 73.17 4.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.436 1.756 . . . . 0.0 110.942 -179.94 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.508 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 0.4 OUTLIER -140.05 -177.44 5.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 179.927 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.593 ' HA ' HD13 ' A' ' 9' ' ' ILE . 2.0 t0 155.46 -24.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -78.65 0.18 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -116.79 -2.07 19.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.736 HG22 ' O ' ' A' ' 9' ' ' ILE . 3.4 mp -99.6 58.95 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 pttp -44.11 135.11 4.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.12 93.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 13' ' ' GLY . 31.3 t 177.11 -35.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.024 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 12' ' ' SER . . . 32.46 90.64 0.01 OUTLIER Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.537 1.148 . . . . 0.0 110.992 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.91 -125.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.57 ' O ' ' HB3' ' A' ' 16' ' ' TYR . 0.3 OUTLIER 178.53 166.14 0.83 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 110.342 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.69 ' CE2' ' CG ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER 76.1 -17.67 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.996 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.69 ' CG ' ' CE2' ' A' ' 16' ' ' TYR . 5.7 mm100 -118.56 0.15 11.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.606 1.192 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -80.81 55.8 2.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.2 -56.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.614 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.22 69.11 1.44 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.26 120.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 0.0 110.272 179.931 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.87 -66.05 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 pp -94.34 139.69 30.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.24 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.481 0.182 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.4 t30 179.74 -39.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -128.49 89.52 49.3 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -168.31 0.5 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -133.01 168.2 18.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.453 ' C ' HG22 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -141.47 174.35 10.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.453 HG22 ' C ' ' A' ' 6' ' ' ASP . 35.7 m 44.77 42.44 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.373 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.599 ' C ' HD12 ' A' ' 9' ' ' ILE . . . -179.97 37.07 0.07 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.718 ' O ' HG22 ' A' ' 9' ' ' ILE . 3.6 mp -147.14 64.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.573 0.808 . . . . 0.0 109.178 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 12' ' ' SER . 0.0 OUTLIER 65.23 -149.66 0.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.949 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.24 69.39 0.14 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -138.69 14.74 2.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.037 179.974 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.11 74.83 0.05 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.567 1.167 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 12' ' ' SER . . . -59.25 -108.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 0.8 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.647 ' C ' ' CG ' ' A' ' 16' ' ' TYR . 2.5 mt-30 178.53 168.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.647 ' CG ' ' C ' ' A' ' 15' ' ' GLN . 1.3 m-85 80.35 -44.94 0.26 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -90.05 0.85 56.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' GLY . 3.8 tm0? -81.6 52.09 1.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.06 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.585 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . 83.9 77.92 1.12 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 20' ' ' GLY . 10.4 ptt180 -34.85 127.65 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 0.787 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -123.58 102.21 7.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.1 mt -55.67 -64.1 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.497 ' O ' ' CB ' ' A' ' 2' ' ' ASN . 45.9 p90 . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.532 0.206 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 1' ' ' PHE . 13.2 t-20 81.65 -53.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.613 ' HB3' ' CD1' ' A' ' 5' ' ' PHE . . . 59.66 158.48 0.1 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 70.55 5.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.791 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.613 ' CD1' ' HB3' ' A' ' 3' ' ' ALA . 19.4 m-85 -99.34 55.8 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.516 ' HA ' HD13 ' A' ' 9' ' ' ILE . 2.9 t70 46.84 66.24 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.2 m -105.31 24.1 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' C ' HD12 ' A' ' 9' ' ' ILE . . . -178.66 37.83 0.08 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.516 HD13 ' HA ' ' A' ' 6' ' ' ASP . 5.0 mp -140.82 75.12 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.56 0.8 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.484 ' HG2' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -117.12 23.16 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 109.319 179.954 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.484 HD23 ' HG2' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -169.4 50.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.514 ' HB2' HG23 ' A' ' 9' ' ' ILE . 3.1 m -147.57 37.14 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.994 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 12' ' ' SER . . . 32.45 68.61 0.15 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.17 -85.37 0.45 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 0.809 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.695 ' O ' ' HB3' ' A' ' 16' ' ' TYR . 0.0 OUTLIER 67.88 157.4 0.13 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.469 1.106 . . . . 0.0 110.334 -179.949 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.7 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER 80.82 -6.58 1.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.509 ' HB2' ' CD1' ' A' ' 16' ' ' TYR . 32.0 tp60 -123.13 -1.75 8.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER -74.67 0.14 16.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.09 -77.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.59 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . 68.86 63.73 3.36 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.504 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 19.4 ttp180 -34.93 108.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 110.282 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 21' ' ' ARG . . . 71.53 126.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mt 44.48 85.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.515 0.198 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -165.44 -44.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.46 160.23 28.59 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.414 ' HG3' ' N ' ' A' ' 224' ' ' NH2 . 18.1 Cg_endo -75.01 -25.28 11.99 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.494 1.786 . . . . 0.0 110.955 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 55.63 167.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.599 1.187 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.448 ' C ' ' N ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -79.51 -165.06 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 7' ' ' VAL . 0.9 OUTLIER 37.95 32.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.622 ' H ' HD12 ' A' ' 9' ' ' ILE . . . -131.61 32.14 2.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.622 HD12 ' H ' ' A' ' 8' ' ' GLY . 3.0 mp -137.92 99.46 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 109.236 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 12' ' ' SER . 16.1 mttm -54.26 -171.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' LYS . 4.2 mm? -39.89 96.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER 168.43 -31.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.162 . . . . 0.0 109.992 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 14' ' ' ALA . . . -133.38 105.69 0.59 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.621 ' O ' ' CG ' ' A' ' 15' ' ' GLN . . . -47.04 -94.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.791 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.636 ' O ' ' CB ' ' A' ' 16' ' ' TYR . 3.7 mt-30 153.01 142.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.389 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.636 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.2 OUTLIER 153.37 37.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER 69.98 8.22 6.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 110.255 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 54.21 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -52.97 -45.15 67.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.627 179.92 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . 57.57 34.04 68.48 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.609 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER 39.16 -160.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 0.792 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 21' ' ' ARG . . . 77.37 -70.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.03 145.16 27.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . 0.414 ' N ' ' HG3' ' A' ' 4' ' ' PRO . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_