data_2bai_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 2bai _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 ' 9' ' ' ILE . . . . . 0.605 ' CD1' ' N ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.34 -0.615 . . . . 74.24 109.34 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.694 ' N ' ' O ' ' A' ' 14' ' ' MET . 2.7 t -113.26 -178.71 3.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 62.3 108.333 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.04 12.91 3.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 74.41 109.259 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.668 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -130.34 -45.88 1.1 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.541 1.15 . . . . 72.44 109.608 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.668 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 8.4 p 143.54 45.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.406 1.067 . . . . 75.31 109.922 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.694 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -156.76 -162.86 1.31 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.088 . . . . 74.41 110.917 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -102.54 159.36 15.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 74.14 110.387 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -41.73 -54.29 3.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 73.42 111.008 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.511 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -64.59 -27.62 69.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 71.25 110.351 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.613 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 3.0 mm-40 -93.31 4.48 53.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 74.14 110.371 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.798 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 51.9 t -62.2 -35.6 22.06 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 71.02 108.337 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.798 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.0 Cg_endo -75.06 -5.6 16.96 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.509 1.794 . . . . 73.31 110.965 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.471 ' CB ' ' OE1' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -98.72 -19.14 17.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 72.13 109.315 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.645 ' SG ' ' CG ' ' A' ' 12' ' ' HIS . 79.2 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 72.32 108.254 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.531 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 1.3 pp . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.28 -0.637 . . . . 75.22 109.28 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.652 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.6 t -111.86 179.28 4.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 74.42 108.292 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.85 7.5 3.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 73.02 109.334 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.668 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -126.41 -44.26 1.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 65.53 109.595 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.668 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 12.0 p 141.82 43.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 74.31 109.997 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.652 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -150.85 -161.14 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 75.53 110.923 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -104.03 157.87 16.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 72.33 110.422 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -41.71 -52.39 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 75.35 111.025 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -67.51 -27.46 67.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.103 . . . . 65.15 110.288 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.635 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 1.1 tp10 -93.5 5.75 50.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 72.13 110.3 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.814 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 52.5 t -64.21 -34.26 11.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.406 1.066 . . . . 74.45 108.269 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.814 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.4 Cg_endo -75.0 -2.08 12.08 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.481 1.779 . . . . 75.2 111.021 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -99.82 -24.61 14.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 74.51 109.332 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.655 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 38.5 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 71.23 108.292 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.543 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 1.3 pp . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.289 -0.634 . . . . 71.32 109.289 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.63 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.2 t -110.09 178.76 4.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 74.33 108.321 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.8 8.24 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 71.14 109.353 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.671 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -126.7 -46.05 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 72.43 109.588 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.663 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.5 m 143.12 44.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 75.24 110.033 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.63 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -153.75 -160.9 1.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 74.34 110.951 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -102.95 158.15 16.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 75.42 110.38 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -42.58 -49.98 5.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 75.43 111.003 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.512 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -67.95 -27.29 66.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 75.11 110.349 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.617 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 1.7 mp0 -93.27 3.48 55.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 74.04 110.288 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.795 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 41.9 t -61.78 -35.67 24.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 63.4 108.33 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.795 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.0 Cg_endo -75.08 -3.15 13.49 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.49 1.784 . . . . 75.33 110.955 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -99.52 -24.19 14.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 73.01 109.331 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.671 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 44.0 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 72.44 108.324 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.565 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.308 -0.627 . . . . 74.23 109.308 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.725 ' N ' ' O ' ' A' ' 14' ' ' MET . 2.0 t -112.49 -179.84 3.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 75.12 108.317 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.45 10.75 2.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 73.12 109.272 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.702 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -128.59 -46.15 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 75.12 109.591 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.2 m 144.97 42.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 74.53 109.951 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.725 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -151.95 -159.55 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 64.43 110.959 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -103.18 158.23 16.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 73.23 110.404 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -41.32 -60.64 1.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 75.43 110.96 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.5 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -59.42 -24.29 63.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 74.04 110.315 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.684 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -93.02 2.23 56.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.627 1.204 . . . . 74.41 110.288 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.808 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 28.7 t -60.96 -34.44 18.08 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 63.04 108.26 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.808 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.5 Cg_endo -74.9 -3.76 14.4 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.531 1.806 . . . . 75.14 111.036 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.47 -30.78 13.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 74.02 109.342 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.702 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 5.7 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 62.42 108.299 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.524 ' CA ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.318 -0.623 . . . . 74.53 109.318 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.659 ' N ' ' O ' ' A' ' 14' ' ' MET . 1.8 t -109.42 179.89 4.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 73.11 108.259 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.41 6.03 7.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 73.33 109.297 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.656 ' CB ' ' HB3' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -118.55 -50.09 2.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 71.43 109.618 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.641 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 2.5 m 147.44 43.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 70.11 109.982 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.659 ' O ' ' N ' ' A' ' 10' ' ' CYS . 1.1 ttm -152.46 -151.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 72.4 110.948 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 18' ' ' GLU . 2.6 p -107.77 157.64 17.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 72.25 110.365 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -42.71 -58.3 2.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 74.32 110.985 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.534 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -59.46 -24.0 63.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.087 . . . . 75.53 110.311 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.554 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -92.33 0.17 57.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 72.23 110.308 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.732 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 28.4 t -57.1 -39.89 81.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 72.1 108.228 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.732 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.2 Cg_endo -75.02 -4.82 15.96 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.424 1.75 . . . . 64.54 110.989 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -99.76 -26.21 14.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 62.35 109.374 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.656 ' HB3' ' CB ' ' A' ' 12' ' ' HIS . 14.4 m . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 72.4 108.29 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.291 -0.633 . . . . 74.41 109.291 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.668 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.7 t -113.75 -179.74 3.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 62.24 108.299 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.78 12.48 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.177 . . . . 51.3 109.291 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.667 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -130.63 -46.84 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 74.43 109.593 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.667 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 7.2 p 144.41 48.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.42 1.075 . . . . 70.42 109.944 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.668 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -158.6 -165.46 1.67 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.445 1.091 . . . . 75.44 110.981 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -102.77 159.51 15.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 70.1 110.409 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -42.09 -47.32 4.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 74.44 110.985 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.508 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -70.92 -30.14 66.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 74.33 110.3 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.662 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -93.8 8.34 41.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 72.21 110.285 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.844 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 42.1 t -68.19 -31.51 3.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 75.2 108.322 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.844 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.2 Cg_endo -75.06 0.78 8.52 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.531 1.806 . . . . 64.52 110.976 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.33 -26.41 13.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 74.21 109.356 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.632 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 15.3 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 75.51 108.325 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.541 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 1.3 pp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.29 -0.633 . . . . 72.15 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.624 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.1 t -110.32 178.73 4.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 75.43 108.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.5 7.72 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 75.4 109.234 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.676 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -126.31 -46.06 1.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 75.04 109.641 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.664 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.4 m 143.37 44.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 72.55 109.967 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.624 ' O ' ' N ' ' A' ' 10' ' ' CYS . 3.0 ttm -153.64 -159.57 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 75.23 110.988 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.47 ' CB ' ' HG2' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -103.38 157.26 17.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 74.51 110.381 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.06 -49.23 6.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 73.24 110.972 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.3 OUTLIER -67.13 -28.54 68.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 60.03 110.31 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.618 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -93.5 4.0 54.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 74.41 110.321 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.789 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 42.2 t -60.84 -36.24 32.88 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.467 1.104 . . . . 71.53 108.31 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.789 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.4 Cg_endo -75.03 -4.06 14.84 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.538 1.809 . . . . 70.55 111.016 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -98.8 -23.85 15.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 64.54 109.247 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.676 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 55.7 m . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.496 1.123 . . . . 71.2 108.289 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.619 ' CD1' ' N ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.326 -0.62 . . . . 71.42 109.326 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.645 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.1 t -110.27 178.68 4.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 51.03 108.317 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.25 7.15 2.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 70.35 109.346 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.687 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -124.4 -46.46 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 65.33 109.597 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.664 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 8.6 p 143.72 43.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 72.44 109.984 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.645 ' O ' ' N ' ' A' ' 10' ' ' CYS . 1.1 ttt -151.57 -155.26 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 72.34 111.009 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 18' ' ' GLU . 6.4 p -104.69 156.95 17.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 75.15 110.451 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -43.7 -48.56 7.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 75.52 110.974 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.535 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -67.92 -26.14 65.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.169 . . . . 74.31 110.311 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.585 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.3 OUTLIER -92.17 1.15 57.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 65.22 110.288 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.748 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 34.8 t -57.35 -38.86 72.55 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 73.24 108.315 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.748 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.2 Cg_endo -74.97 -5.35 16.69 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.45 1.763 . . . . 74.51 110.967 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.38 -23.66 15.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 73.13 109.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.687 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 58.8 m . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 71.12 108.357 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.533 ' CD1' ' N ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.3 -0.63 . . . . 62.11 109.3 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.678 ' N ' ' O ' ' A' ' 14' ' ' MET . 4.0 t -113.56 179.69 3.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 74.23 108.28 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.42 9.49 3.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 64.41 109.302 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.674 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -127.86 -46.48 1.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 75.13 109.609 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.674 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.4 m 143.91 46.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 72.41 109.986 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.678 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.8 OUTLIER -154.98 -167.45 2.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 72.04 110.997 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -102.56 158.76 16.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 70.14 110.477 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -42.31 -39.17 2.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.086 . . . . 75.04 110.984 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.545 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -77.16 -32.01 55.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 73.44 110.296 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.653 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.3 OUTLIER -94.05 8.08 42.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 71.43 110.296 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.838 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 43.4 t -67.17 -32.28 4.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 72.24 108.325 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.838 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.3 Cg_endo -75.09 1.11 8.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.445 1.76 . . . . 73.34 110.958 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.64 -26.58 13.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 74.54 109.265 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.644 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 16.2 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 74.14 108.275 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.529 ' CD1' ' N ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.232 -0.655 . . . . 73.54 109.232 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.657 ' N ' ' O ' ' A' ' 14' ' ' MET . 4.1 t -113.83 -179.68 3.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 64.52 108.315 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.71 9.95 3.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 75.34 109.266 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.68 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -129.71 -45.38 1.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 74.35 109.557 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.68 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.5 m 143.14 44.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 72.32 109.92 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.657 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -151.58 -168.36 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 74.04 110.959 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.551 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -103.92 159.11 15.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 71.43 110.452 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -40.9 -42.68 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 73.22 111.001 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.539 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -77.57 -31.45 53.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 64.43 110.371 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.668 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -93.7 9.7 35.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.52 110.326 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.857 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 36.3 t -69.64 -30.55 2.14 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 74.11 108.34 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.857 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.0 Cg_endo -75.07 1.6 7.6 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.56 1.821 . . . . 65.31 110.985 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -100.39 -26.06 14.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.107 . . . . 72.2 109.312 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.631 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 20.0 m . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 71.35 108.306 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.304 -0.628 . . . . 73.23 109.304 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.71 ' N ' ' O ' ' A' ' 14' ' ' MET . 1.4 t -111.61 -178.47 3.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 1.121 . . . . 51.11 108.356 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.27 24.24 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 62.43 109.269 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.685 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -140.53 -47.65 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 71.41 109.624 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.635 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 4.3 p 147.67 43.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 63.43 109.984 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.71 ' O ' ' N ' ' A' ' 10' ' ' CYS . 1.2 ttm -156.56 -154.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 63.42 110.991 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -106.57 158.19 17.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 62.01 110.391 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -42.8 -55.43 3.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 72.5 111.009 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.519 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 1.2 mm-40 -61.14 -25.84 67.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 72.24 110.364 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.685 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -91.67 2.66 56.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 75.41 110.267 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.786 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 8.9 t -59.53 -34.84 24.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 71.12 108.241 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.786 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.4 Cg_endo -75.0 -4.05 14.83 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.587 1.835 . . . . 70.4 110.989 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -96.6 -31.52 12.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 74.42 109.215 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.685 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 6.6 m . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.138 . . . . 64.11 108.332 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.55 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.339 -0.615 . . . . 75.35 109.339 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.73 ' N ' ' O ' ' A' ' 14' ' ' MET . 1.8 t -112.34 -178.68 3.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 74.32 108.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.15 15.05 2.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 74.03 109.324 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.704 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -132.51 -46.94 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 73.13 109.596 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.64 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.4 t 146.95 41.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 71.22 109.994 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.73 ' O ' ' N ' ' A' ' 10' ' ' CYS . 1.7 mtp -151.9 -157.52 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 71.33 111.05 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -105.21 159.0 16.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 74.35 110.365 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -41.7 -58.2 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 74.12 111.009 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.516 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -61.39 -24.65 66.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 75.23 110.277 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.671 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.3 OUTLIER -92.25 1.73 57.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 71.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.794 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 14.7 t -59.49 -35.38 29.71 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 75.1 108.345 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.794 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.2 Cg_endo -75.03 -2.78 12.98 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.799 . . . . 75.31 110.995 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.72 -31.14 13.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 72.24 109.293 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.704 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 7.8 m . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 62.22 108.275 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.331 -0.618 . . . . 70.43 109.331 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.681 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.2 t -110.94 -179.61 3.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 70.44 108.246 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.55 12.29 3.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 72.23 109.306 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.637 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -130.42 -47.92 1.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 73.34 109.588 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.637 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 2.9 m 146.53 45.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 63.23 110.03 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.681 ' O ' ' N ' ' A' ' 10' ' ' CYS . 2.1 mtm -156.31 -161.73 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 73.34 110.996 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.513 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -105.78 160.29 15.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 73.23 110.378 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 1.4 t80 -41.06 -55.5 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 75.11 111.06 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.497 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -65.53 -28.03 68.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 71.1 110.291 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.66 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 4.0 mt-10 -93.82 8.07 42.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 64.15 110.33 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.844 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 52.9 t -68.26 -31.58 3.3 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 71.54 108.344 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.844 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.1 Cg_endo -75.08 0.34 9.06 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.446 1.761 . . . . 64.45 110.974 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -99.55 -27.11 13.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 74.23 109.299 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.635 ' HB3' ' CB ' ' A' ' 12' ' ' HIS . 14.3 m . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 73.04 108.3 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.584 ' C ' ' O ' ' A' ' 14' ' ' MET . 6.4 mm . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.325 -0.62 . . . . 74.54 109.325 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.728 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.5 OUTLIER -109.64 173.71 6.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 74.34 108.34 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.31 20.4 4.47 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.558 1.161 . . . . 70.14 109.245 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.654 ' N ' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -139.44 -43.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 74.43 109.579 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.8 m -135.52 -95.76 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 75.22 110.001 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.728 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -146.99 -80.47 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 72.31 110.998 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.594 ' O ' ' N ' ' A' ' 19' ' ' CYS . 1.9 p -108.02 177.64 4.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 73.22 110.496 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -67.04 -27.18 67.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 64.24 111.01 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.549 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -77.95 -28.57 49.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 74.04 110.332 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.647 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 3.7 mt-10 -108.68 -2.97 18.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 75.11 110.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.974 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 4.4 t -124.73 28.8 0.17 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 63.1 108.282 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.974 ' HD3' ' N ' ' A' ' 19' ' ' CYS . 18.5 Cg_endo -74.96 -27.43 10.1 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.502 1.791 . . . . 75.33 111.016 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -39.48 69.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 74.51 109.289 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.632 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 71.3 108.27 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.586 ' C ' ' O ' ' A' ' 14' ' ' MET . 7.6 mm . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.285 -0.635 . . . . 73.43 109.285 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.729 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.5 OUTLIER -109.77 173.53 6.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 63.12 108.306 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.21 20.42 4.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 70.34 109.297 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.655 ' N ' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -139.49 -43.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 74.31 109.613 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.5 m -135.5 -95.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 74.01 110.004 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.729 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -147.33 -80.32 0.15 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.424 1.077 . . . . 70.12 110.989 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.592 ' O ' ' N ' ' A' ' 19' ' ' CYS . 2.2 p -108.24 177.56 4.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 63.45 110.397 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -67.01 -27.07 67.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 74.21 111.007 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.55 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -78.04 -28.57 49.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 65.23 110.294 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.647 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 26.7 mt-10 -108.73 -2.93 18.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 75.31 110.33 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.978 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 4.3 t -124.63 28.67 0.16 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 70.02 108.316 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.978 ' HD3' ' N ' ' A' ' 19' ' ' CYS . 18.3 Cg_endo -74.94 -26.99 10.53 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.431 1.753 . . . . 44.43 110.991 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.31 -39.49 68.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 73.13 109.315 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.631 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 74.1 108.276 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.537 ' C ' ' O ' ' A' ' 14' ' ' MET . 6.3 mm . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.286 -0.635 . . . . 72.43 109.286 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.765 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.3 OUTLIER -110.53 172.05 7.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 51.54 108.279 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.55 17.68 5.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 63.34 109.322 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.651 ' CE1' ' SG ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -134.54 -42.35 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 73.51 109.566 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.7 m -140.02 -94.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 71.42 109.965 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.765 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -145.57 -86.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 72.34 111.014 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.589 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER -108.21 156.32 19.47 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.532 1.145 . . . . 71.43 110.423 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.455 ' O ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -46.57 -39.1 10.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.182 . . . . 74.35 110.943 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -57.02 -35.92 69.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 74.0 110.225 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.644 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 2.3 tt0 -110.5 1.3 18.14 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 71.31 110.31 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.997 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 2.4 t -122.28 26.53 0.12 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 72.21 108.384 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.997 ' HD3' ' N ' ' A' ' 19' ' ' CYS . 18.5 Cg_endo -74.89 -25.08 12.44 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.536 1.808 . . . . 74.1 111.061 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.58 -38.13 55.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 74.14 109.332 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.651 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 73.44 108.327 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.6 ' C ' ' O ' ' A' ' 14' ' ' MET . 6.1 mm . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.277 -0.638 . . . . 75.14 109.277 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.729 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.5 OUTLIER -109.69 173.47 6.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.412 1.07 . . . . 74.32 108.273 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.12 21.07 3.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 73.04 109.316 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.655 ' N ' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -140.71 -43.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 75.33 109.606 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 m -135.65 -95.99 0.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 61.53 109.946 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.729 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -146.53 -79.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 74.34 111.001 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.589 ' O ' ' N ' ' A' ' 19' ' ' CYS . 3.0 p -108.17 173.56 6.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 55.04 110.473 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -66.8 -25.97 66.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 75.3 111.019 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.542 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -76.78 -30.18 56.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 75.24 110.294 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.642 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -109.5 -1.61 18.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 73.15 110.308 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.986 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 5.3 t -124.01 28.24 0.15 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 74.52 108.274 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.986 ' HD3' ' N ' ' A' ' 19' ' ' CYS . 18.3 Cg_endo -74.98 -27.71 9.82 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.797 . . . . 75.25 110.965 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -38.28 73.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 71.24 109.255 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.626 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 73.03 108.294 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.257 -0.646 . . . . 73.35 109.257 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.561 ' C ' ' H ' ' A' ' 12' ' ' HIS . 1.7 p -112.87 -170.79 1.74 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 73.42 108.327 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.586 ' C ' ' CD2' ' A' ' 12' ' ' HIS . . . -73.67 36.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 74.2 109.301 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.686 ' N ' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -158.01 -58.98 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 74.15 109.589 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.638 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.1 m 145.8 70.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 72.25 110.031 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.467 ' CG ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER 177.48 -177.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 72.53 110.972 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.689 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -99.56 157.91 16.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 1.155 . . . . 71.21 110.365 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.423 ' O ' ' HD3' ' A' ' 20' ' ' PRO . 76.7 m-85 -38.53 -31.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 73.4 110.964 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.457 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 10.0 pt-20 -78.58 -44.06 25.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 62.31 110.25 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 15' ' ' THR . 3.5 mt-10 -98.68 10.98 39.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 71.02 110.247 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.804 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 32.6 t -76.09 -35.15 1.58 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 71.44 108.272 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.804 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.1 Cg_endo -75.07 -1.03 10.71 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.466 1.772 . . . . 65.11 111.007 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.402 ' HG3' ' HZ3' ' A' ' 21' ' ' LYS . 1.5 tmtp? -97.01 -21.5 17.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 75.35 109.247 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.534 ' HB3' ' CB ' ' A' ' 12' ' ' HIS . 16.9 m . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 75.14 108.262 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.632 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.322 -0.621 . . . . 74.35 109.322 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.515 ' CB ' ' SG ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER -111.24 -170.78 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 62.43 108.285 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.33 -19.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 62.32 109.338 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.649 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -94.26 -64.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 74.11 109.609 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.592 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 1.6 m 151.27 33.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 75.13 110.002 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.632 ' O ' ' N ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -140.87 -160.19 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.598 1.186 . . . . 75.42 111.051 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -97.54 157.18 16.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 75.32 110.369 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.476 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -46.04 -34.58 4.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.153 . . . . 71.02 111.046 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.518 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 0.7 OUTLIER -74.54 -29.41 61.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 74.23 110.285 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.499 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.4 OUTLIER -93.0 -2.82 55.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 72.53 110.311 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.678 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -54.48 -42.54 95.02 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 74.31 108.349 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.678 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.5 Cg_endo -75.02 -10.18 21.07 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.48 1.779 . . . . 74.31 110.995 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -99.33 -24.57 14.77 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.144 . . . . 73.23 109.265 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.649 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 84.4 m . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 73.21 108.31 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.584 ' CD1' ' N ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.255 -0.646 . . . . 74.25 109.255 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.594 ' N ' ' O ' ' A' ' 14' ' ' MET . 4.4 t -114.07 -178.59 3.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 72.3 108.334 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.415 ' C ' ' CD2' ' A' ' 12' ' ' HIS . . . -83.42 29.12 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 65.33 109.364 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.703 ' CE1' ' SG ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -149.49 -46.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 74.54 109.615 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.677 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 4.7 t 142.99 79.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 71.24 109.957 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.594 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.4 OUTLIER 153.86 -170.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 72.24 110.972 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.763 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -102.74 143.51 32.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 65.14 110.427 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -41.62 -29.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 72.33 111.013 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.555 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -84.72 -41.52 16.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 74.32 110.293 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.638 ' C ' ' CD ' ' A' ' 20' ' ' PRO . 10.6 tp10 -104.36 18.35 22.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 70.41 110.296 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.993 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 17.8 t -120.7 24.28 0.11 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 74.44 108.298 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.993 ' HD3' ' N ' ' A' ' 19' ' ' CYS . 18.2 Cg_endo -75.08 -5.03 16.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.436 1.756 . . . . 65.33 110.951 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.21 -36.88 16.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 74.54 109.307 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.703 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 13.1 p . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 73.35 108.313 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.419 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.513 0.197 . . . . 72.22 111.063 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.99 31.88 15.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 73.41 109.27 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 t 39.99 77.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 73.1 110.374 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.23 124.64 2.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 75.42 110.41 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.8 mtt -154.59 -47.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 74.41 110.987 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 71.4 91.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 75.3 110.249 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.434 ' CG ' HD11 ' A' ' 9' ' ' ILE . 9.0 pt20 170.39 40.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 70.15 110.249 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.521 ' HA ' ' CG2' ' A' ' 15' ' ' THR . 3.4 mt-10 52.33 86.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 74.52 110.276 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.605 ' CD1' ' N ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -135.36 89.13 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 74.24 109.34 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.694 ' N ' ' O ' ' A' ' 14' ' ' MET . 2.7 t -113.26 -178.71 3.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 62.3 108.333 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.04 12.91 3.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 74.41 109.259 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.668 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -130.34 -45.88 1.1 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.541 1.15 . . . . 72.44 109.608 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.668 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 8.4 p 143.54 45.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.406 1.067 . . . . 75.31 109.922 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.694 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -156.76 -162.86 1.31 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.088 . . . . 74.41 110.917 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.521 ' CG2' ' HA ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -102.54 159.36 15.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 74.14 110.387 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -41.73 -54.29 3.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 73.42 111.008 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.511 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -64.59 -27.62 69.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 71.25 110.351 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.613 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 3.0 mm-40 -93.31 4.48 53.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 74.14 110.371 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.798 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 51.9 t -62.2 -35.6 22.06 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 71.02 108.337 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.798 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.0 Cg_endo -75.06 -5.6 16.96 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.509 1.794 . . . . 73.31 110.965 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.471 ' CB ' ' OE1' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -98.72 -19.14 17.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 72.13 109.315 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.627 ' HB3' ' CB ' ' A' ' 12' ' ' HIS . 79.2 m -51.27 -46.52 62.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 72.32 108.254 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.77 -44.11 10.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 64.43 109.97 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.414 ' O ' ' CD ' ' A' ' 21' ' ' LYS . . . -78.42 60.24 2.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 73.21 109.368 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.11 12.58 33.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 70.22 109.329 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 49.74 26.08 1.74 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.133 . . . . 72.31 110.347 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -138.16 -168.87 2.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.402 1.064 . . . . 74.43 111.066 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -4.12 33.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 74.42 110.281 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.54 -50.32 74.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 75.31 109.245 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.4 173.21 40.34 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.517 1.135 . . . . 74.4 111.024 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -123.93 -42.05 2.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 0.744 . . . . 74.33 110.959 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 73.33 111.041 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.0 mmm . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.471 0.176 . . . . 73.0 110.973 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.7 89.69 3.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 73.24 109.344 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.1 m -144.4 74.11 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 75.11 110.412 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -155.45 133.69 11.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 73.02 110.405 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.66 -33.32 11.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 74.34 110.967 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 45.37 77.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.615 1.197 . . . . 74.34 110.32 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 10.1 mt-30 -131.71 8.97 4.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 74.12 110.314 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.489 ' HA ' ' CG2' ' A' ' 15' ' ' THR . 1.2 mt-10 85.14 72.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 63.21 110.277 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.531 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 1.3 pp -137.86 90.37 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 75.22 109.28 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.652 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.6 t -111.86 179.28 4.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 74.42 108.292 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.85 7.5 3.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 73.02 109.334 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.668 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -126.41 -44.26 1.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 65.53 109.595 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.668 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 12.0 p 141.82 43.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 74.31 109.997 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.652 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -150.85 -161.14 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 75.53 110.923 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.489 ' CG2' ' HA ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -104.03 157.87 16.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 72.33 110.422 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -41.71 -52.39 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 75.35 111.025 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -67.51 -27.46 67.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.103 . . . . 65.15 110.288 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.635 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 1.1 tp10 -93.5 5.75 50.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 72.13 110.3 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.814 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 52.5 t -64.21 -34.26 11.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.406 1.066 . . . . 74.45 108.269 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.814 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.4 Cg_endo -75.0 -2.08 12.08 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.481 1.779 . . . . 75.2 111.021 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -99.82 -24.61 14.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 74.51 109.332 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.655 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 38.5 m -49.65 -51.36 38.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 71.23 108.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.01 -43.01 11.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 72.31 109.937 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.98 63.62 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 74.42 109.336 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -0.48 30.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 62.4 109.256 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.55 27.42 2.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 73.23 110.233 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -112.54 16.7 19.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 74.21 110.955 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 48.88 30.01 2.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 73.23 110.344 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -79.29 -24.17 43.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 64.13 109.272 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 126.72 156.28 9.15 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.483 1.114 . . . . 73.4 111.01 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -176.95 -172.04 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 0.784 . . . . 73.41 111.011 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 33.5 t80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 74.32 111.013 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 ttt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.53 0.205 . . . . 75.13 111.03 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 60.75 112.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 41.32 109.333 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.0 m -151.72 -87.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 75.41 110.392 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.7 34.95 17.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 73.41 110.326 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.447 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 1.2 mmt -112.7 -34.96 5.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.423 1.077 . . . . 75.44 110.917 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.447 ' CB ' ' O ' ' A' ' 5' ' ' MET . 0.7 OUTLIER 83.41 91.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 71.24 110.339 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.432 ' O ' HG13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -163.28 -164.75 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.591 1.182 . . . . 74.13 110.229 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.547 ' HA ' ' CG2' ' A' ' 15' ' ' THR . 3.3 pt-20 -65.13 79.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 72.12 110.33 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.543 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 1.3 pp -142.21 91.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 71.32 109.289 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.63 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.2 t -110.09 178.76 4.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 74.33 108.321 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.8 8.24 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 71.14 109.353 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.671 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -126.7 -46.05 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 72.43 109.588 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.663 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.5 m 143.12 44.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 75.24 110.033 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.63 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -153.75 -160.9 1.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 74.34 110.951 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.547 ' CG2' ' HA ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -102.95 158.15 16.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 75.42 110.38 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -42.58 -49.98 5.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 75.43 111.003 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.512 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -67.95 -27.29 66.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 75.11 110.349 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.617 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 1.7 mp0 -93.27 3.48 55.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 74.04 110.288 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.795 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 41.9 t -61.78 -35.67 24.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 63.4 108.33 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.795 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.0 Cg_endo -75.08 -3.15 13.49 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.49 1.784 . . . . 75.33 110.955 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -99.52 -24.19 14.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 73.01 109.331 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.671 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 44.0 m -49.76 -49.39 48.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 72.44 108.324 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.05 -43.29 11.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 73.31 109.974 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.93 49.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 70.53 109.291 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.58 -12.8 41.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 74.21 109.285 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 70.33 12.56 7.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 73.13 110.323 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -111.4 166.74 10.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 75.31 111.009 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.5 ttt85 -51.5 -22.14 2.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 73.32 110.323 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -46.09 -61.26 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 73.55 109.285 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.03 150.18 26.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.444 1.09 . . . . 73.04 111.029 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -86.58 -38.35 17.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 75.23 111.004 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.534 ' CG ' ' O ' ' A' ' 32' ' ' TYR . 18.7 t80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 74.05 111.021 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.505 0.193 . . . . 61.42 110.968 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.5 179.0 2.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 74.33 109.215 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.99 87.25 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 73.02 110.351 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -168.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 65.11 110.417 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.5 mtt -105.58 169.33 8.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 74.31 111.012 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -121.51 113.28 19.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 74.43 110.265 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.479 ' C ' ' CG ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -172.3 -51.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 73.31 110.335 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.523 ' HA ' ' CG2' ' A' ' 15' ' ' THR . 0.0 OUTLIER 178.47 85.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 75.11 110.303 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.565 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -129.18 89.54 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 74.23 109.308 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.725 ' N ' ' O ' ' A' ' 14' ' ' MET . 2.0 t -112.49 -179.84 3.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 75.12 108.317 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.45 10.75 2.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 73.12 109.272 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.702 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -128.59 -46.15 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 75.12 109.591 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.2 m 144.97 42.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 74.53 109.951 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.725 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -151.95 -159.55 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 64.43 110.959 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.523 ' CG2' ' HA ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -103.18 158.23 16.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 73.23 110.404 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -41.32 -60.64 1.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 75.43 110.96 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.5 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -59.42 -24.29 63.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 74.04 110.315 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.684 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -93.02 2.23 56.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.627 1.204 . . . . 74.41 110.288 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.808 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 28.7 t -60.96 -34.44 18.08 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 63.04 108.26 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.808 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.5 Cg_endo -74.9 -3.76 14.4 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.531 1.806 . . . . 75.14 111.036 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.47 -30.78 13.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 74.02 109.342 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.702 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 5.7 m -52.76 -31.08 36.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 62.42 108.299 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.7 -45.0 10.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.107 . . . . 65.35 110.02 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.33 65.32 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 73.52 109.302 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.69 -18.93 62.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 70.31 109.32 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 65.1 12.06 7.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 72.54 110.329 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -121.89 174.69 6.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 72.43 111.012 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -10.17 43.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.401 1.063 . . . . 73.53 110.336 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.32 -46.47 62.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 64.41 109.294 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 32' ' ' TYR . . . -81.65 -146.87 5.63 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.499 1.124 . . . . 65.2 110.986 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 57.12 -86.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 72.53 110.992 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.431 ' N ' ' O ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 71.41 111.04 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.48 0.181 . . . . 74.43 110.99 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -42.68 -53.28 4.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 73.44 109.323 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.17 -176.13 4.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 73.45 110.403 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.82 178.74 7.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 75.44 110.434 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 9.2 mtt -37.89 -57.24 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 74.12 111.0 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.72 76.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 74.44 110.315 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.19 -82.3 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 71.35 110.346 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.538 ' HA ' ' CG2' ' A' ' 15' ' ' THR . 8.6 mt-10 -138.12 59.66 1.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 73.24 110.259 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.524 ' CA ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -147.1 108.14 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 74.53 109.318 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.659 ' N ' ' O ' ' A' ' 14' ' ' MET . 1.8 t -109.42 179.89 4.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 73.11 108.259 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.41 6.03 7.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 73.33 109.297 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.656 ' CB ' ' HB3' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -118.55 -50.09 2.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 71.43 109.618 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.641 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 2.5 m 147.44 43.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 70.11 109.982 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.659 ' O ' ' N ' ' A' ' 10' ' ' CYS . 1.1 ttm -152.46 -151.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 72.4 110.948 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.538 ' CG2' ' HA ' ' A' ' 8' ' ' GLU . 2.6 p -107.77 157.64 17.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 72.25 110.365 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -42.71 -58.3 2.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 74.32 110.985 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.534 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -59.46 -24.0 63.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.087 . . . . 75.53 110.311 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.554 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -92.33 0.17 57.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 72.23 110.308 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.732 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 28.4 t -57.1 -39.89 81.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 72.1 108.228 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.732 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.2 Cg_endo -75.02 -4.82 15.96 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.424 1.75 . . . . 64.54 110.989 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -99.76 -26.21 14.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 62.35 109.374 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.656 ' HB3' ' CB ' ' A' ' 12' ' ' HIS . 14.4 m -50.25 -47.57 55.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 72.4 108.29 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.16 -43.5 10.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 74.42 110.009 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.97 54.46 2.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 75.42 109.34 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.63 -4.22 55.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 73.43 109.331 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 55.72 21.01 4.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 71.43 110.291 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -107.02 -178.46 3.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 73.32 110.932 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.8 -6.48 45.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 74.54 110.283 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -43.76 -59.52 2.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 71.45 109.271 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 53.55 -168.18 1.32 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.11 . . . . 63.25 111.044 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -169.1 89.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 74.34 111.015 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.414 0 O-C-N 124.462 1.101 . . . . 73.44 111.034 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.516 0.198 . . . . 75.44 110.986 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.33 -71.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 75.45 109.308 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m 40.83 -158.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.445 1.091 . . . . 73.33 110.349 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.9 t -147.66 43.77 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 74.0 110.438 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 21.2 mtt -113.73 178.56 4.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 75.24 110.981 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.43 82.48 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.588 1.18 . . . . 73.34 110.303 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 13.9 mt-30 -128.29 -50.22 1.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 65.14 110.22 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 158.62 74.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.425 1.078 . . . . 73.31 110.27 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -135.26 88.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.575 1.172 . . . . 74.41 109.291 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.668 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.7 t -113.75 -179.74 3.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 62.24 108.299 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.78 12.48 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.177 . . . . 51.3 109.291 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.667 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -130.63 -46.84 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 74.43 109.593 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.667 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 7.2 p 144.41 48.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.42 1.075 . . . . 70.42 109.944 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.668 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -158.6 -165.46 1.67 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.445 1.091 . . . . 75.44 110.981 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -102.77 159.51 15.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 70.1 110.409 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -42.09 -47.32 4.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 74.44 110.985 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.508 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -70.92 -30.14 66.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 74.33 110.3 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.662 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -93.8 8.34 41.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 72.21 110.285 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.844 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 42.1 t -68.19 -31.51 3.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 75.2 108.322 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.844 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.2 Cg_endo -75.06 0.78 8.52 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.531 1.806 . . . . 64.52 110.976 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.33 -26.41 13.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 74.21 109.356 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.632 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 15.3 m -49.78 -49.31 48.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 75.51 108.325 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.33 -43.08 11.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 75.31 109.982 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 20' ' ' PRO . . . -75.85 68.29 2.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.175 . . . . 72.3 109.272 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.97 14.67 3.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 65.43 109.292 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 40.58 30.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 71.5 110.362 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.7 m-30 -114.05 172.5 6.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 72.4 110.982 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -6.04 43.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 64.14 110.257 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -44.34 -73.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 73.11 109.299 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 55.06 169.64 0.06 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.586 1.179 . . . . 73.51 111.029 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.14 126.06 43.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 0.805 . . . . 74.44 110.966 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 63.23 110.974 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ttt . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.419 0.152 . . . . 74.05 110.983 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.13 64.52 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 74.22 109.301 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 85.2 m -92.47 142.49 27.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 64.22 110.386 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.94 155.4 38.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 71.55 110.4 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -111.42 162.6 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 64.24 110.96 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -111.5 80.74 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 61.23 110.342 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.425 ' O ' HG13 ' A' ' 9' ' ' ILE . 13.5 pt20 -174.21 -159.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 75.34 110.323 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.547 ' HA ' ' CG2' ' A' ' 15' ' ' THR . 1.9 mt-10 -64.87 79.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 70.23 110.339 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.541 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 1.3 pp -142.37 91.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 72.15 109.29 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.624 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.1 t -110.32 178.73 4.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 75.43 108.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.5 7.72 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 75.4 109.234 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.676 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -126.31 -46.06 1.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 75.04 109.641 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.664 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.4 m 143.37 44.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 72.55 109.967 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.624 ' O ' ' N ' ' A' ' 10' ' ' CYS . 3.0 ttm -153.64 -159.57 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 75.23 110.988 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.547 ' CG2' ' HA ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -103.38 157.26 17.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 74.51 110.381 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.06 -49.23 6.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 73.24 110.972 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.3 OUTLIER -67.13 -28.54 68.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 60.03 110.31 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.618 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -93.5 4.0 54.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 74.41 110.321 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.789 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 42.2 t -60.84 -36.24 32.88 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.467 1.104 . . . . 71.53 108.31 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.789 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.4 Cg_endo -75.03 -4.06 14.84 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.538 1.809 . . . . 70.55 111.016 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.441 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 2.3 mtmm -98.8 -23.85 15.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 64.54 109.247 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.676 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 55.7 m -49.83 -42.38 47.1 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.496 1.123 . . . . 71.2 108.289 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 24' ' ' ALA . 2.0 t -89.52 -43.0 11.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 64.44 110.006 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.441 ' CB ' ' HA ' ' A' ' 21' ' ' LYS . . . -38.84 -66.65 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 72.5 109.281 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.43 -16.61 55.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 74.53 109.317 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.31 20.51 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 70.01 110.268 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -135.41 160.51 38.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 72.21 111.036 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -63.16 -12.45 27.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 74.53 110.302 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -50.01 -84.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 70.43 109.301 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.81 -29.59 11.07 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.471 1.107 . . . . 72.22 111.066 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -165.52 127.67 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 70.23 110.98 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 62.13 110.993 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mtp . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.523 0.201 . . . . 72.05 110.906 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 76.15 -161.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.078 . . . . 74.21 109.282 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 m -40.47 129.6 2.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 75.52 110.41 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.6 167.13 19.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 72.44 110.369 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 34.7 mtt 59.23 173.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 74.21 111.04 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.08 111.19 19.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 74.33 110.264 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.37 -37.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.572 1.17 . . . . 74.2 110.292 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.493 ' HA ' ' CG2' ' A' ' 15' ' ' THR . 1.8 tm-20 -108.52 74.12 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 64.41 110.313 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.619 ' CD1' ' N ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -143.59 101.08 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 71.42 109.326 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.645 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.1 t -110.27 178.68 4.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 51.03 108.317 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.25 7.15 2.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 70.35 109.346 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.687 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -124.4 -46.46 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 65.33 109.597 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.664 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 8.6 p 143.72 43.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 72.44 109.984 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.645 ' O ' ' N ' ' A' ' 10' ' ' CYS . 1.1 ttt -151.57 -155.26 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 72.34 111.009 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.493 ' CG2' ' HA ' ' A' ' 8' ' ' GLU . 6.4 p -104.69 156.95 17.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 75.15 110.451 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -43.7 -48.56 7.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 75.52 110.974 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.535 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -67.92 -26.14 65.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.169 . . . . 74.31 110.311 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.585 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.3 OUTLIER -92.17 1.15 57.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 65.22 110.288 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.748 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 34.8 t -57.35 -38.86 72.55 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 73.24 108.315 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.748 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.2 Cg_endo -74.97 -5.35 16.69 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.45 1.763 . . . . 74.51 110.967 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.38 -23.66 15.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 73.13 109.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.687 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 58.8 m -48.96 -49.79 38.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 71.12 108.357 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.27 -43.99 10.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 64.25 110.021 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.23 55.95 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 73.41 109.292 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.536 HD23 ' CD2' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -82.0 2.88 28.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 74.13 109.301 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.534 ' CG ' ' O ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER 37.69 30.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 75.2 110.313 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.536 ' CD2' HD23 ' A' ' 25' ' ' LEU . 3.0 m-30 -112.77 13.52 19.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 75.13 111.003 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 63.7 12.27 6.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 72.42 110.296 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -82.0 -41.82 20.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 71.51 109.274 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 58.94 -101.13 0.2 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 74.04 111.059 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -110.99 48.62 0.91 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 0.779 . . . . 74.12 111.062 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 65.33 110.989 -179.942 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.48 ' CG ' ' O ' ' A' ' 1' ' ' MET . 1.5 ptt? . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.505 0.193 . . . . 74.32 110.964 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.94 179.06 9.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.163 . . . . 74.42 109.298 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.4 m -94.77 112.02 23.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.592 1.183 . . . . 75.11 110.41 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.65 122.7 43.74 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.602 1.189 . . . . 64.2 110.404 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -43.33 14.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 74.13 111.019 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.45 ' C ' ' CG ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 69.06 74.71 0.25 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.113 . . . . 71.23 110.313 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.505 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER 179.46 39.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 61.21 110.359 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.521 ' HA ' ' CG2' ' A' ' 15' ' ' THR . 0.5 OUTLIER 86.76 84.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 75.51 110.293 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.533 ' CD1' ' N ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -143.06 87.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 62.11 109.3 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.678 ' N ' ' O ' ' A' ' 14' ' ' MET . 4.0 t -113.56 179.69 3.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 74.23 108.28 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.42 9.49 3.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 64.41 109.302 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.674 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -127.86 -46.48 1.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 75.13 109.609 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.674 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.4 m 143.91 46.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 72.41 109.986 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.678 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.8 OUTLIER -154.98 -167.45 2.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 72.04 110.997 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.521 ' CG2' ' HA ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -102.56 158.76 16.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 70.14 110.477 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -42.31 -39.17 2.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.086 . . . . 75.04 110.984 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.545 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -77.16 -32.01 55.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 73.44 110.296 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.653 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.3 OUTLIER -94.05 8.08 42.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 71.43 110.296 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.838 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 43.4 t -67.17 -32.28 4.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 72.24 108.325 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.838 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.3 Cg_endo -75.09 1.11 8.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.445 1.76 . . . . 73.34 110.958 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.64 -26.58 13.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 74.54 109.265 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.644 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 16.2 m -49.28 -49.51 43.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 74.14 108.275 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.46 -43.56 10.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 74.14 109.948 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.01 50.25 1.9 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 1.14 . . . . 74.12 109.256 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 tp -90.76 -3.31 57.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 75.14 109.262 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 49.24 28.46 2.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 74.34 110.283 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -123.03 30.82 6.23 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.456 1.097 . . . . 73.41 110.986 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 47.92 25.37 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 63.45 110.259 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -80.71 -60.81 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 75.14 109.254 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.05 -129.3 23.1 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.456 1.097 . . . . 75.42 110.993 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.589 ' CD2' ' O ' ' A' ' 32' ' ' TYR . 61.9 t80 -111.21 170.83 7.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 0.726 . . . . 73.13 110.973 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.589 ' O ' ' CD2' ' A' ' 31' ' ' PHE . 29.7 t80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 71.42 111.003 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 mtt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.485 0.183 . . . . 73.12 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.0 92.43 4.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 1.159 . . . . 75.14 109.365 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.83 89.24 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 74.3 110.45 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.49 ' O ' ' CB ' ' A' ' 5' ' ' MET . 1.0 OUTLIER -98.84 -140.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 74.55 110.306 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.49 ' CB ' ' O ' ' A' ' 4' ' ' THR . 0.0 OUTLIER 80.26 -5.48 1.79 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 63.15 111.034 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 39.43 82.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 73.22 110.299 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.554 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 3.2 mm100 -131.33 -44.72 1.01 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.088 . . . . 74.12 110.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.554 ' CB ' ' O ' ' A' ' 7' ' ' GLN . 0.6 OUTLIER 156.78 77.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 74.04 110.282 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.529 ' CD1' ' N ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -143.98 88.06 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 73.54 109.232 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.657 ' N ' ' O ' ' A' ' 14' ' ' MET . 4.1 t -113.83 -179.68 3.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 64.52 108.315 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.71 9.95 3.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 75.34 109.266 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.68 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -129.71 -45.38 1.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 74.35 109.557 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.68 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.5 m 143.14 44.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 72.32 109.92 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.657 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -151.58 -168.36 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 74.04 110.959 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.551 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -103.92 159.11 15.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 71.43 110.452 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -40.9 -42.68 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 73.22 111.001 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.539 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -77.57 -31.45 53.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 64.43 110.371 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.668 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -93.7 9.7 35.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.52 110.326 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.857 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 36.3 t -69.64 -30.55 2.14 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 74.11 108.34 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.857 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.0 Cg_endo -75.07 1.6 7.6 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.56 1.821 . . . . 65.31 110.985 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -100.39 -26.06 14.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.107 . . . . 72.2 109.312 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.63 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 20.0 m -49.43 -49.13 46.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 71.35 108.306 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.31 -41.58 12.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 75.23 110.031 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 20' ' ' PRO . . . -72.74 68.16 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 73.22 109.356 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -153.03 81.84 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 74.31 109.304 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 25' ' ' LEU . 3.8 tm0? -36.94 -30.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 74.41 110.317 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -39.43 160.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 73.41 111.027 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -53.02 -19.14 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 74.04 110.263 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' ARG . 0.3 OUTLIER -39.65 -34.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 52.21 109.334 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -41.23 149.15 0.25 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.543 1.152 . . . . 74.04 110.966 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -37.97 128.39 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 71.4 110.99 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 74.14 111.0 -179.933 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.542 0.211 . . . . 53.41 111.009 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.55 -59.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 75.4 109.317 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.1 m 55.05 -91.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 72.21 110.447 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 98.8 m -126.29 -61.97 1.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.184 . . . . 74.44 110.325 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 33.2 mmm -106.84 -173.68 2.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 74.41 110.983 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -114.15 -87.01 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 72.21 110.318 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.637 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 0.7 OUTLIER 90.49 -5.4 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 72.4 110.298 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.637 ' CB ' ' O ' ' A' ' 7' ' ' GLN . 1.8 tm-20 147.95 60.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 72.13 110.354 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -143.62 92.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 73.23 109.304 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.71 ' N ' ' O ' ' A' ' 14' ' ' MET . 1.4 t -111.61 -178.47 3.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 1.121 . . . . 51.11 108.356 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.27 24.24 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 62.43 109.269 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.685 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -140.53 -47.65 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 71.41 109.624 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.635 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 4.3 p 147.67 43.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 63.43 109.984 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.71 ' O ' ' N ' ' A' ' 10' ' ' CYS . 1.2 ttm -156.56 -154.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 63.42 110.991 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.53 ' CG2' ' N ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -106.57 158.19 17.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 62.01 110.391 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -42.8 -55.43 3.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 72.5 111.009 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.519 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 1.2 mm-40 -61.14 -25.84 67.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 72.24 110.364 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.685 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -91.67 2.66 56.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 75.41 110.267 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.786 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 8.9 t -59.53 -34.84 24.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 71.12 108.241 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.786 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.4 Cg_endo -75.0 -4.05 14.83 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.587 1.835 . . . . 70.4 110.989 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -96.6 -31.52 12.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 74.42 109.215 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.685 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 6.6 m -52.7 -30.14 30.57 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.138 . . . . 64.11 108.332 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.93 -44.85 10.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.536 1.148 . . . . 70.25 109.989 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 26' ' ' GLN . . . -48.68 -47.46 40.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 74.52 109.313 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.534 HD12 ' CD1' ' A' ' 27' ' ' TYR . 0.4 OUTLIER 37.19 33.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 72.44 109.273 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.482 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER 32.15 39.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 72.1 110.327 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.534 ' CD1' HD12 ' A' ' 25' ' ' LEU . 1.1 m-85 -131.12 27.77 4.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 73.44 110.98 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 16.1 ptt-85 45.11 25.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 75.44 110.377 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.407 ' N ' ' C ' ' A' ' 27' ' ' TYR . 1.2 t-20 -91.13 14.21 14.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 65.2 109.332 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 31' ' ' PHE . . . -72.3 129.49 14.77 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.456 1.097 . . . . 43.03 110.971 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.414 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 0.2 OUTLIER 167.8 165.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.738 . . . . 74.12 110.974 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 64.12 111.014 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.409 ' HG2' ' N ' ' A' ' 2' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.56 0.219 . . . . 73.22 110.973 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.409 ' N ' ' HG2' ' A' ' 1' ' ' MET . . . 41.39 67.45 0.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 63.51 109.308 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 p -48.2 151.62 0.98 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.435 1.084 . . . . 73.34 110.342 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 t -150.21 72.44 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 75.02 110.356 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -50.8 24.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 71.55 111.029 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 75.63 88.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 70.11 110.311 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.524 ' CG ' HD12 ' A' ' 9' ' ' ILE . 5.7 pt20 176.67 -133.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 73.33 110.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.55 ' HA ' ' CG2' ' A' ' 15' ' ' THR . 4.5 pm0 -86.41 90.79 8.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 55.42 110.358 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.55 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -133.05 90.86 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 75.35 109.339 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.73 ' N ' ' O ' ' A' ' 14' ' ' MET . 1.8 t -112.34 -178.68 3.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 74.32 108.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.15 15.05 2.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 74.03 109.324 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.704 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -132.51 -46.94 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 73.13 109.596 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.64 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.4 t 146.95 41.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 71.22 109.994 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.73 ' O ' ' N ' ' A' ' 10' ' ' CYS . 1.7 mtp -151.9 -157.52 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 71.33 111.05 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.55 ' CG2' ' HA ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -105.21 159.0 16.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 74.35 110.365 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -41.7 -58.2 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 74.12 111.009 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.516 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -61.39 -24.65 66.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 75.23 110.277 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.671 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.3 OUTLIER -92.25 1.73 57.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 71.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.794 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 14.7 t -59.49 -35.38 29.71 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 75.1 108.345 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.794 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.2 Cg_endo -75.03 -2.78 12.98 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.799 . . . . 75.31 110.995 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.72 -31.14 13.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 72.24 109.293 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.704 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 7.8 m -52.93 -30.96 37.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 62.22 108.275 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -44.75 10.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 75.12 109.978 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.47 66.1 9.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 75.02 109.325 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.51 -5.14 58.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 71.05 109.304 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 64.69 19.18 11.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.602 1.189 . . . . 73.51 110.327 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -120.48 175.71 5.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 74.5 111.045 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.32 -18.31 10.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 72.25 110.313 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.27 -36.87 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 73.13 109.255 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.33 123.32 5.68 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.445 1.091 . . . . 72.41 111.019 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 62.46 136.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 73.03 110.993 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 71.02 111.004 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.43 0.157 . . . . 64.44 110.904 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.412 ' C ' ' CG2' ' A' ' 3' ' ' THR . . . -94.31 -6.07 45.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 74.12 109.249 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.412 ' CG2' ' C ' ' A' ' 2' ' ' ALA . 0.5 OUTLIER -171.07 -62.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 71.11 110.361 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 49.04 -160.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 73.44 110.39 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.4 mmt 61.07 176.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 75.14 111.014 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.587 ' O ' ' CB ' ' A' ' 7' ' ' GLN . 3.1 mt-10 -104.08 -94.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 72.23 110.337 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.587 ' CB ' ' O ' ' A' ' 6' ' ' GLU . 0.9 OUTLIER 92.78 39.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 75.12 110.274 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.565 ' CB ' ' O ' ' A' ' 7' ' ' GLN . 1.5 mm-40 92.09 65.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 74.42 110.296 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.468 HD13 ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -143.64 93.41 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 70.43 109.331 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.681 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.2 t -110.94 -179.61 3.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 70.44 108.246 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.55 12.29 3.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 72.23 109.306 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.637 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -130.42 -47.92 1.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 73.34 109.588 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.637 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 2.9 m 146.53 45.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 63.23 110.03 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.681 ' O ' ' N ' ' A' ' 10' ' ' CYS . 2.1 mtm -156.31 -161.73 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 73.34 110.996 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.516 ' CG2' ' HA ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -105.78 160.29 15.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 73.23 110.378 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 1.4 t80 -41.06 -55.5 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 75.11 111.06 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.497 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -65.53 -28.03 68.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 71.1 110.291 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.66 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 4.0 mt-10 -93.82 8.07 42.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 64.15 110.33 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.844 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 52.9 t -68.26 -31.58 3.3 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 71.54 108.344 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.844 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.1 Cg_endo -75.08 0.34 9.06 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.446 1.761 . . . . 64.45 110.974 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -99.55 -27.11 13.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 74.23 109.299 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.635 ' HB3' ' CB ' ' A' ' 12' ' ' HIS . 14.3 m -50.34 -40.07 48.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 73.04 108.3 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 24' ' ' ALA . 1.6 t -89.46 -44.19 10.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 33.14 109.971 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' SER . . . -40.1 -36.11 0.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.105 . . . . 63.23 109.304 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.484 ' C ' ' N ' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -159.6 91.16 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 73.44 109.316 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.403 ' C ' ' H ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -44.06 -20.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.606 1.191 . . . . 64.24 110.278 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.507 ' O ' ' CG ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -75.61 11.36 1.33 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.403 1.064 . . . . 73.22 111.01 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 45.92 24.14 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 74.31 110.329 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.64 2.29 30.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 74.4 109.331 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -42.19 132.63 4.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.54 1.15 . . . . 75.42 110.979 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 60.41 165.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 74.02 110.969 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.581 1.175 . . . . 75.43 111.021 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.9 mtm . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.552 0.215 . . . . 74.05 110.95 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 71.24 79.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 75.1 109.279 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -94.73 -144.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 73.3 110.381 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m -127.7 31.1 5.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 73.24 110.365 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.2 mtp -107.02 -47.69 3.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 64.04 111.034 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 41.67 86.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 71.42 110.241 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.48 -57.84 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 73.44 110.347 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.564 ' O ' ' CD1' ' A' ' 9' ' ' ILE . 7.8 mt-10 -135.13 36.41 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.175 . . . . 72.03 110.302 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.584 ' C ' ' O ' ' A' ' 14' ' ' MET . 6.4 mm -146.61 116.17 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 74.54 109.325 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.728 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.5 OUTLIER -109.64 173.71 6.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 74.34 108.34 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.31 20.4 4.47 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.558 1.161 . . . . 70.14 109.245 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.654 ' N ' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -139.44 -43.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 74.43 109.579 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.8 m -135.52 -95.76 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 75.22 110.001 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.728 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -146.99 -80.47 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 72.31 110.998 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.594 ' O ' ' N ' ' A' ' 19' ' ' CYS . 1.9 p -108.02 177.64 4.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 73.22 110.496 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -67.04 -27.18 67.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 64.24 111.01 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.549 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -77.95 -28.57 49.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 74.04 110.332 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.647 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 3.7 mt-10 -108.68 -2.97 18.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 75.11 110.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.974 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 4.4 t -124.73 28.8 0.17 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 63.1 108.282 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.974 ' HD3' ' N ' ' A' ' 19' ' ' CYS . 18.5 Cg_endo -74.96 -27.43 10.1 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.502 1.791 . . . . 75.33 111.016 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -39.48 69.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 74.51 109.289 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.532 ' HB2' ' ND1' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -52.65 -28.04 19.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 71.3 108.27 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.04 -34.43 16.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 75.01 110.002 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.91 57.21 2.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 61.42 109.283 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.45 2.08 56.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 74.44 109.359 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 57.87 18.74 5.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 72.55 110.315 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -108.59 -173.34 2.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.58 1.175 . . . . 64.12 110.998 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -63.67 -15.82 59.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 72.13 110.309 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -50.42 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 70.3 109.361 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.05 -173.42 0.05 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.478 1.111 . . . . 64.51 110.939 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -127.03 92.64 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 70.21 111.044 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 75.2 110.999 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 mtt . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.529 0.204 . . . . 70.03 110.962 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.76 146.01 27.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 72.51 109.292 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.9 102.48 2.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 64.43 110.422 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 53.35 89.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 73.14 110.351 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.4 mtp -72.6 171.33 12.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 75.33 111.04 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -119.07 38.16 3.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 74.23 110.327 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -124.37 66.28 1.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 73.15 110.261 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.559 ' O ' ' CD1' ' A' ' 9' ' ' ILE . 6.3 mt-10 67.42 36.66 3.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 74.3 110.374 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.586 ' C ' ' O ' ' A' ' 14' ' ' MET . 7.6 mm -147.0 116.25 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 73.43 109.285 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.729 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.5 OUTLIER -109.77 173.53 6.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 63.12 108.306 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.21 20.42 4.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 70.34 109.297 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.655 ' N ' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -139.49 -43.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 74.31 109.613 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.5 m -135.5 -95.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 74.01 110.004 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.729 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -147.33 -80.32 0.15 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.424 1.077 . . . . 70.12 110.989 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.592 ' O ' ' N ' ' A' ' 19' ' ' CYS . 2.2 p -108.24 177.56 4.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 63.45 110.397 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -67.01 -27.07 67.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 74.21 111.007 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.55 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -78.04 -28.57 49.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 65.23 110.294 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.647 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 26.7 mt-10 -108.73 -2.93 18.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 75.31 110.33 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.978 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 4.3 t -124.63 28.67 0.16 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 70.02 108.316 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.978 ' HD3' ' N ' ' A' ' 19' ' ' CYS . 18.3 Cg_endo -74.94 -26.99 10.53 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.431 1.753 . . . . 44.43 110.991 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.31 -39.49 68.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 73.13 109.315 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.531 ' HB2' ' ND1' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -52.63 -25.82 11.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 74.1 108.276 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.18 -34.0 22.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 71.21 109.961 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -112.81 53.26 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 63.53 109.303 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 tp -80.44 -2.84 47.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 71.41 109.258 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 64.86 12.25 7.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 75.25 110.268 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -124.9 163.3 22.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 73.02 110.994 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.57 -21.35 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 74.55 110.313 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -41.74 -57.55 2.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 73.11 109.341 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.23 73.91 0.14 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.601 1.188 . . . . 73.14 111.044 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 1.1 t80 -114.36 20.29 15.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 0.787 . . . . 73.52 110.972 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.452 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 74.04 110.982 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.8 mtm . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.426 0.155 . . . . 75.33 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.83 164.12 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.59 1.181 . . . . 63.21 109.354 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.7 p -54.66 177.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 74.11 110.348 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.86 163.4 33.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 73.43 110.431 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 36.6 mtm -111.69 -15.64 13.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 75.3 110.995 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 46.31 75.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.592 1.183 . . . . 75.22 110.258 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 28.8 mm-40 -120.74 45.64 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 74.35 110.284 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.558 ' O ' ' CD1' ' A' ' 9' ' ' ILE . 13.1 mt-10 67.68 36.28 3.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.079 . . . . 71.41 110.363 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.558 ' CD1' ' O ' ' A' ' 8' ' ' GLU . 6.3 mm -147.07 115.77 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 72.43 109.286 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.765 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.3 OUTLIER -110.53 172.05 7.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 51.54 108.279 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.55 17.68 5.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 63.34 109.322 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.631 ' N ' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -134.54 -42.35 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 73.51 109.566 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.7 m -140.02 -94.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 71.42 109.965 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.765 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -145.57 -86.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 72.34 111.014 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.589 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER -108.21 156.32 19.47 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.532 1.145 . . . . 71.43 110.423 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.455 ' O ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -46.57 -39.1 10.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.182 . . . . 74.35 110.943 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -57.02 -35.92 69.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 74.0 110.225 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.644 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 2.3 tt0 -110.5 1.3 18.14 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 71.31 110.31 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.997 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 2.4 t -122.28 26.53 0.12 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 72.21 108.384 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.997 ' HD3' ' N ' ' A' ' 19' ' ' CYS . 18.5 Cg_endo -74.89 -25.08 12.44 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.536 1.808 . . . . 74.1 111.061 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.58 -38.13 55.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 74.14 109.332 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.561 ' HB2' ' CG ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -51.95 -24.96 7.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 73.44 108.327 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.69 -42.42 11.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 73.33 109.97 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.63 62.19 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.611 1.195 . . . . 75.12 109.269 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.28 -0.16 56.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 74.45 109.319 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 48.24 27.05 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 74.01 110.294 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -113.21 31.22 6.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 74.24 110.954 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.6 mmt-85 58.36 18.41 5.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 74.14 110.344 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -93.53 10.83 30.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 71.34 109.347 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 140.06 75.52 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.118 . . . . 74.24 110.996 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.419 ' C ' ' CD1' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -133.44 98.29 4.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 74.04 110.985 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 74.51 111.037 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mtm . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.526 0.203 . . . . 65.11 111.001 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.94 43.78 1.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 60.4 109.308 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.494 ' CG2' ' SG ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -112.27 19.42 17.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 75.53 110.427 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.4 m -124.47 30.25 6.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 75.53 110.378 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.522 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -128.43 -92.3 0.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.447 1.092 . . . . 74.2 111.045 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.522 ' CB ' ' O ' ' A' ' 5' ' ' MET . 1.5 tt0 158.17 80.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 74.14 110.333 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -136.98 -164.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 74.31 110.3 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.561 ' O ' ' CD1' ' A' ' 9' ' ' ILE . 0.6 OUTLIER -106.16 38.7 1.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 63.21 110.328 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.6 ' C ' ' O ' ' A' ' 14' ' ' MET . 6.1 mm -146.37 116.36 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 75.14 109.277 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.729 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.5 OUTLIER -109.69 173.47 6.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.412 1.07 . . . . 74.32 108.273 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.12 21.07 3.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 73.04 109.316 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.655 ' N ' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -140.71 -43.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 75.33 109.606 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 m -135.65 -95.99 0.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 61.53 109.946 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.729 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -146.53 -79.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 74.34 111.001 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.589 ' O ' ' N ' ' A' ' 19' ' ' CYS . 3.0 p -108.17 173.56 6.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 55.04 110.473 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -66.8 -25.97 66.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 75.3 111.019 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.542 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -76.78 -30.18 56.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 75.24 110.294 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.642 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -109.5 -1.61 18.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 73.15 110.308 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.986 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 5.3 t -124.01 28.24 0.15 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 74.52 108.274 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.986 ' HD3' ' N ' ' A' ' 19' ' ' CYS . 18.3 Cg_endo -74.98 -27.71 9.82 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.797 . . . . 75.25 110.965 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -38.28 73.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 71.24 109.255 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.546 ' HB2' ' CG ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -52.65 -24.35 8.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 73.03 108.294 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.5 t -87.11 -40.13 14.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 72.41 110.038 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.83 -60.97 2.5 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.515 1.134 . . . . 64.33 109.338 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.2 -28.81 66.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 65.51 109.264 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 63.71 12.14 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 71.55 110.353 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -119.16 164.28 15.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 74.41 110.992 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -64.77 -11.26 34.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 65.32 110.238 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -42.49 -80.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 73.31 109.324 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.41 156.77 0.29 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 32.02 111.011 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -146.34 120.83 9.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.757 . . . . 75.3 110.967 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 74.54 111.003 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.528 0.204 . . . . 75.44 111.059 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.41 -97.21 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.471 1.107 . . . . 75.42 109.356 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.9 p -107.12 169.88 8.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 65.21 110.405 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.6 p -131.55 -176.33 4.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 74.41 110.391 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 12.8 mmt 65.01 168.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 70.11 111.017 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -115.39 75.82 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 74.03 110.327 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 9' ' ' ILE . 14.7 mm100 -140.83 -167.08 2.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 73.11 110.292 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.562 ' HA ' ' CG2' ' A' ' 15' ' ' THR . 0.1 OUTLIER -65.62 72.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 65.45 110.293 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -144.91 91.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 73.35 109.257 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.561 ' C ' ' H ' ' A' ' 12' ' ' HIS . 1.7 p -112.87 -170.79 1.74 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 73.42 108.327 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.586 ' C ' ' CD2' ' A' ' 12' ' ' HIS . . . -73.67 36.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 74.2 109.301 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.686 ' N ' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -158.01 -58.98 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 74.15 109.589 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.638 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.1 m 145.8 70.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 72.25 110.031 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.467 ' CG ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER 177.48 -177.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 72.53 110.972 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.689 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -99.56 157.91 16.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 1.155 . . . . 71.21 110.365 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.423 ' O ' ' HD3' ' A' ' 20' ' ' PRO . 76.7 m-85 -38.53 -31.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 73.4 110.964 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.457 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 10.0 pt-20 -78.58 -44.06 25.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 62.31 110.25 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 15' ' ' THR . 3.5 mt-10 -98.68 10.98 39.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 71.02 110.247 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.804 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 32.6 t -76.09 -35.15 1.58 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 71.44 108.272 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.804 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.1 Cg_endo -75.07 -1.03 10.71 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.466 1.772 . . . . 65.11 111.007 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' LEU . 1.5 tmtp? -97.01 -21.5 17.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 75.35 109.247 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.534 ' HB3' ' CB ' ' A' ' 12' ' ' HIS . 16.9 m -51.4 -43.08 61.85 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 75.14 108.262 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.17 -44.07 10.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 73.15 110.017 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.407 ' C ' ' N ' ' A' ' 26' ' ' GLN . . . -59.05 -16.13 17.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 51.43 109.35 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -47.65 -24.82 1.0 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 72.31 109.296 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.407 ' N ' ' C ' ' A' ' 24' ' ' ALA . 6.1 mt-30 51.31 68.83 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 72.54 110.274 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.546 ' CG ' ' N ' ' A' ' 28' ' ' ARG . 9.7 p90 -137.32 -45.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 75.32 111.016 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.546 ' N ' ' CG ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 38.01 30.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 73.23 110.289 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' TYR . 5.0 m-20 -89.15 -14.51 35.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 74.25 109.335 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.28 -122.28 7.89 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.477 1.111 . . . . 73.54 110.973 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 63.88 100.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 72.22 111.004 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 74.14 110.978 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 tmm? . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.475 0.179 . . . . 74.13 111.029 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.62 -91.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 71.3 109.258 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.11 111.41 5.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 61.32 110.439 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' A' ' 5' ' ' MET . 36.2 m -82.28 -48.84 10.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 71.52 110.383 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.457 ' CB ' ' O ' ' A' ' 4' ' ' THR . 0.5 OUTLIER 78.45 -64.33 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 74.2 111.045 -179.912 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 62.63 35.93 13.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 74.44 110.319 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -108.63 -43.79 4.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 72.51 110.302 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.529 ' CB ' HG23 ' A' ' 15' ' ' THR . 5.5 pt-20 -165.67 41.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 74.54 110.287 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.632 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -145.38 107.26 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 74.35 109.322 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.503 ' CB ' ' SG ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER -111.24 -170.78 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 62.43 108.285 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.33 -19.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 62.32 109.338 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.649 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -94.26 -64.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 74.11 109.609 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.592 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 1.6 m 151.27 33.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 75.13 110.002 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.632 ' O ' ' N ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -140.87 -160.19 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.598 1.186 . . . . 75.42 111.051 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.529 HG23 ' CB ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -97.54 157.18 16.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 75.32 110.369 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.476 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -46.04 -34.58 4.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.153 . . . . 71.02 111.046 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.518 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 0.7 OUTLIER -74.54 -29.41 61.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 74.23 110.285 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.499 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.4 OUTLIER -93.0 -2.82 55.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 72.53 110.311 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.678 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -54.48 -42.54 95.02 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 74.31 108.349 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.678 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.5 Cg_endo -75.02 -10.18 21.07 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.48 1.779 . . . . 74.31 110.995 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -99.33 -24.57 14.77 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.144 . . . . 73.23 109.265 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.649 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 84.4 m -48.82 -48.32 41.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 73.21 108.31 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.47 -43.51 10.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 75.41 109.994 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.62 50.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 62.44 109.269 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.83 -14.89 16.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 74.1 109.245 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 69.2 13.81 8.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 72.31 110.322 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -110.67 20.61 17.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 75.15 110.988 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.2 mmm-85 44.14 29.43 0.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 75.14 110.293 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -82.29 -58.06 3.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.138 . . . . 64.43 109.332 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.72 6.18 67.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 50.1 111.006 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -98.56 79.39 2.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 74.23 110.988 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 45.7 p90 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 70.13 111.021 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.434 ' O ' ' CB ' ' A' ' 2' ' ' ALA . 8.1 ptt? . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.546 0.212 . . . . 73.15 110.973 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 1' ' ' MET . . . 78.96 -72.6 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 63.31 109.236 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.3 m 55.54 -90.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.102 . . . . 74.33 110.429 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.7 p -152.39 -50.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 71.14 110.339 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.17 175.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.398 1.061 . . . . 72.11 110.97 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -108.78 93.76 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.175 . . . . 74.33 110.256 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.533 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -137.95 -50.64 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 74.51 110.274 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.533 ' CB ' ' O ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 158.5 76.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 74.22 110.249 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.584 ' CD1' ' N ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -143.95 87.06 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.148 . . . . 74.25 109.255 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.594 ' N ' ' O ' ' A' ' 14' ' ' MET . 4.4 t -114.07 -178.59 3.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 72.3 108.334 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.415 ' C ' ' CD2' ' A' ' 12' ' ' HIS . . . -83.42 29.12 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 65.33 109.364 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.703 ' CE1' ' SG ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -149.49 -46.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 74.54 109.615 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.677 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 4.7 t 142.99 79.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 71.24 109.957 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.594 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.4 OUTLIER 153.86 -170.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 72.24 110.972 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.763 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -102.74 143.51 32.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 65.14 110.427 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -41.62 -29.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 72.33 111.013 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.555 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -84.72 -41.52 16.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 74.32 110.293 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.638 ' C ' ' CD ' ' A' ' 20' ' ' PRO . 10.6 tp10 -104.36 18.35 22.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 70.41 110.296 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.993 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 17.8 t -120.7 24.28 0.11 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 74.44 108.298 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.993 ' HD3' ' N ' ' A' ' 19' ' ' CYS . 18.2 Cg_endo -75.08 -5.03 16.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.436 1.756 . . . . 65.33 110.951 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.21 -36.88 16.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 74.54 109.307 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.703 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 13.1 p -50.47 -32.05 16.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 73.35 108.313 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.76 -37.51 17.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 34.21 109.959 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.16 -78.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 73.24 109.318 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -12.09 54.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 75.41 109.337 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 47.79 28.19 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 74.41 110.308 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -131.19 177.84 7.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 72.21 111.053 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.414 ' C ' ' N ' ' A' ' 30' ' ' GLY . 92.6 mtm-85 -72.54 -6.29 42.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 73.44 110.243 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.524 ' O ' ' CD2' ' A' ' 31' ' ' PHE . 1.1 m-20 -44.67 -27.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 75.2 109.276 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 28' ' ' ARG . . . -44.91 96.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.473 1.108 . . . . 61.35 111.043 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.524 ' CD2' ' O ' ' A' ' 29' ' ' ASN . 0.2 OUTLIER -116.73 -174.16 2.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 0.795 . . . . 75.51 111.014 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 71.01 110.973 -179.933 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.866 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.34 -0.615 . . . . 74.239999999999995 109.34 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.694 ' N ' ' O ' ' A' ' 14' ' ' MET . 2.7 t -113.26 -178.71 3.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 62.299999999999997 108.333 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.04 12.91 3.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 74.409999999999997 109.259 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.668 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -130.34 -45.88 1.1 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.541 1.15 . . . . 72.439999999999998 109.608 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.668 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 8.4 p 143.54 45.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.406 1.067 . . . . 74.200000000000003 109.922 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.694 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -156.76 -162.86 1.31 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.088 . . . . 74.409999999999997 110.917 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -102.54 159.36 15.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 74.140000000000001 110.387 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -41.73 -54.29 3.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 73.420000000000002 111.008 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.514 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -64.59 -27.62 69.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 71.25 110.351 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.621 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 3.0 mm-40 -93.31 4.48 53.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 72.239999999999995 110.371 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.798 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 51.9 t -62.2 -35.6 22.06 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 64.430000000000007 108.337 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.798 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.0 Cg_endo -75.06 -5.6 16.96 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.509 1.794 . . . . 73.310000000000002 110.965 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.471 ' CB ' ' OE1' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -98.72 -19.14 17.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 54.210000000000001 109.315 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.645 ' SG ' ' CG ' ' A' ' 12' ' ' HIS . 79.2 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 52.43 108.254 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.564 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.3 pp . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.28 -0.637 . . . . 75.219999999999999 109.28 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.652 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.6 t -111.86 179.28 4.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 74.420000000000002 108.292 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.85 7.5 3.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 63.409999999999997 109.334 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.668 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -126.41 -44.26 1.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 65.209999999999994 109.595 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.668 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 12.0 p 141.82 43.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 72.200000000000003 109.997 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.652 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -150.85 -161.14 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 62.229999999999997 110.923 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -104.03 157.87 16.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 72.329999999999998 110.422 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -41.71 -52.39 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 75.349999999999994 111.025 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -67.51 -27.46 67.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.103 . . . . 65.150000000000006 110.288 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.641 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 1.1 tp10 -93.5 5.75 50.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 72.129999999999995 110.3 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.814 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 52.5 t -64.21 -34.26 11.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.406 1.066 . . . . 61.5 108.269 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.814 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.4 Cg_endo -75.0 -2.08 12.08 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.481 1.779 . . . . 72.239999999999995 111.021 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -99.82 -24.61 14.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 55.420000000000002 109.332 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.655 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 38.5 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 71.230000000000004 108.292 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.546 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.3 pp . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.289 -0.634 . . . . 71.319999999999993 109.289 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.63 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.2 t -110.09 178.76 4.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 64.319999999999993 108.321 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.8 8.24 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 71.140000000000001 109.353 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.671 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -126.7 -46.05 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 72.349999999999994 109.588 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.663 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.5 m 143.12 44.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 72.450000000000003 110.033 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.63 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -153.75 -160.9 1.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 71.219999999999999 110.951 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -102.95 158.15 16.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 53.049999999999997 110.38 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -42.58 -49.98 5.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 75.430000000000007 111.003 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.514 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -67.95 -27.29 66.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 73.409999999999997 110.349 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.627 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 1.7 mp0 -93.27 3.48 55.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 74.040000000000006 110.288 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.795 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 41.9 t -61.78 -35.67 24.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 63.399999999999999 108.33 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.795 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.0 Cg_endo -75.08 -3.15 13.49 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.49 1.784 . . . . 75.329999999999998 110.955 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -99.52 -24.19 14.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 53.409999999999997 109.331 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.671 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 44.0 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 72.25 108.324 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.758 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.308 -0.627 . . . . 74.230000000000004 109.308 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.725 ' N ' ' O ' ' A' ' 14' ' ' MET . 2.0 t -112.49 -179.84 3.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 75.120000000000005 108.317 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.45 10.75 2.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 71.310000000000002 109.272 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.702 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -128.59 -46.15 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 75.120000000000005 109.591 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.2 m 144.97 42.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 73.439999999999998 109.951 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.725 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -151.95 -159.55 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 64.430000000000007 110.959 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -103.18 158.23 16.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 73.230000000000004 110.404 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -41.32 -60.64 1.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 75.430000000000007 110.96 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -59.42 -24.29 63.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 74.040000000000006 110.315 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.689 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -93.02 2.23 56.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.627 1.204 . . . . 74.409999999999997 110.288 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.808 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 28.7 t -60.96 -34.44 18.08 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 63.039999999999999 108.26 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.808 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.5 Cg_endo -74.9 -3.76 14.4 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.531 1.806 . . . . 75.140000000000001 111.036 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.47 -30.78 13.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 74.019999999999996 109.342 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.702 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 5.7 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 54.420000000000002 108.299 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.524 ' CA ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.318 -0.623 . . . . 74.530000000000001 109.318 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.659 ' N ' ' O ' ' A' ' 14' ' ' MET . 1.8 t -109.42 179.89 4.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 71.140000000000001 108.259 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.41 6.03 7.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 73.329999999999998 109.297 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.655 ' CB ' ' HB3' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -118.55 -50.09 2.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 71.430000000000007 109.618 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.641 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 2.5 m 147.44 43.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 70.109999999999999 109.982 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.659 ' O ' ' N ' ' A' ' 10' ' ' CYS . 1.1 ttm -152.46 -151.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 72.400000000000006 110.948 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 18' ' ' GLU . 2.6 p -107.77 157.64 17.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 72.25 110.365 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -42.71 -58.3 2.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 74.319999999999993 110.985 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.535 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -59.46 -24.0 63.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.087 . . . . 74.140000000000001 110.311 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.561 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -92.33 0.17 57.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 72.230000000000004 110.308 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.732 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 28.4 t -57.1 -39.89 81.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 72.099999999999994 108.228 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.732 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.2 Cg_endo -75.02 -4.82 15.96 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.424 1.75 . . . . 64.540000000000006 110.989 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -99.76 -26.21 14.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 62.329999999999998 109.374 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.655 ' HB3' ' CB ' ' A' ' 12' ' ' HIS . 14.4 m . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 62.049999999999997 108.29 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.291 -0.633 . . . . 74.409999999999997 109.291 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.668 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.7 t -113.75 -179.74 3.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 62.240000000000002 108.299 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.78 12.48 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.177 . . . . 51.299999999999997 109.291 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.766 ' CD2' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -130.63 -46.84 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 74.430000000000007 109.593 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.667 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 7.2 p 144.41 48.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.42 1.075 . . . . 70.420000000000002 109.944 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.668 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -158.6 -165.46 1.67 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.445 1.091 . . . . 75.439999999999998 110.981 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -102.77 159.51 15.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 64.450000000000003 110.409 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -42.09 -47.32 4.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 74.439999999999998 110.985 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.508 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -70.92 -30.14 66.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 74.329999999999998 110.3 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.673 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -93.8 8.34 41.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 71.109999999999999 110.285 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.844 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 42.1 t -68.19 -31.51 3.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 72.140000000000001 108.322 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.844 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.2 Cg_endo -75.06 0.78 8.52 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.531 1.806 . . . . 54.450000000000003 110.976 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.33 -26.41 13.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 64.400000000000006 109.356 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.766 ' CB ' ' CD2' ' A' ' 12' ' ' HIS . 15.3 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 74.299999999999997 108.325 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.542 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.3 pp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.29 -0.633 . . . . 72.150000000000006 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.624 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.1 t -110.32 178.73 4.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 73.510000000000005 108.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.5 7.72 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 75.400000000000006 109.234 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.676 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -126.31 -46.06 1.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 75.040000000000006 109.641 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.664 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.4 m 143.37 44.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 72.549999999999997 109.967 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.624 ' O ' ' N ' ' A' ' 10' ' ' CYS . 3.0 ttm -153.64 -159.57 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 74.400000000000006 110.988 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.489 ' CB ' ' HG2' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -103.38 157.26 17.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 74.230000000000004 110.381 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.06 -49.23 6.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 73.239999999999995 110.972 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.501 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.3 OUTLIER -67.13 -28.54 68.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 60.030000000000001 110.31 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.627 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -93.5 4.0 54.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 74.409999999999997 110.321 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.789 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 42.2 t -60.84 -36.24 32.88 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.467 1.104 . . . . 71.530000000000001 108.31 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.789 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.4 Cg_endo -75.03 -4.06 14.84 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.538 1.809 . . . . 70.549999999999997 111.016 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -98.8 -23.85 15.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 64.540000000000006 109.247 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.676 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 55.7 m . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.496 1.123 . . . . 71.200000000000003 108.289 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.874 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.326 -0.62 . . . . 71.299999999999997 109.326 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.645 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.1 t -110.27 178.68 4.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 51.009999999999998 108.317 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.25 7.15 2.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 32.200000000000003 109.346 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.687 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -124.4 -46.46 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 65.329999999999998 109.597 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.664 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 8.6 p 143.72 43.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 53.32 109.984 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.645 ' O ' ' N ' ' A' ' 10' ' ' CYS . 1.1 ttt -151.57 -155.26 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 72.340000000000003 111.009 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 18' ' ' GLU . 6.4 p -104.69 156.95 17.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 71.129999999999995 110.451 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -43.7 -48.56 7.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 72.299999999999997 110.974 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.536 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -67.92 -26.14 65.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.169 . . . . 74.310000000000002 110.311 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.593 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.3 OUTLIER -92.17 1.15 57.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 65.219999999999999 110.288 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.748 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 34.8 t -57.35 -38.86 72.55 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 70.319999999999993 108.315 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.748 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.2 Cg_endo -74.97 -5.35 16.69 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.45 1.763 . . . . 74.510000000000005 110.967 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.38 -23.66 15.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 70.420000000000002 109.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.687 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 58.8 m . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 65.209999999999994 108.357 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.744 ' N ' HD12 ' A' ' 9' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.3 -0.63 . . . . 62.109999999999999 109.3 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.678 ' N ' ' O ' ' A' ' 14' ' ' MET . 4.0 t -113.56 179.69 3.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 64.209999999999994 108.28 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.42 9.49 3.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 64.409999999999997 109.302 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.773 ' CD2' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -127.86 -46.48 1.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 72.340000000000003 109.609 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.674 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.4 m 143.91 46.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 72.409999999999997 109.986 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.678 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.8 OUTLIER -154.98 -167.45 2.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 60.439999999999998 110.997 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -102.56 158.76 16.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 70.140000000000001 110.477 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -42.31 -39.17 2.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.086 . . . . 74.409999999999997 110.984 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.545 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -77.16 -32.01 55.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 52.420000000000002 110.296 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.662 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.3 OUTLIER -94.05 8.08 42.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 71.430000000000007 110.296 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.838 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 43.4 t -67.17 -32.28 4.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 72.239999999999995 108.325 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.838 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.3 Cg_endo -75.09 1.11 8.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.445 1.76 . . . . 73.340000000000003 110.958 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.64 -26.58 13.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 74.540000000000006 109.265 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.773 ' CB ' ' CD2' ' A' ' 12' ' ' HIS . 16.2 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 65.519999999999996 108.275 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.751 ' N ' HD12 ' A' ' 9' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.232 -0.655 . . . . 73.430000000000007 109.232 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.657 ' N ' ' O ' ' A' ' 14' ' ' MET . 4.1 t -113.83 -179.68 3.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 64.519999999999996 108.315 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.71 9.95 3.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 73.549999999999997 109.266 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.731 ' CD2' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -129.71 -45.38 1.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 74.349999999999994 109.557 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.68 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.5 m 143.14 44.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 72.319999999999993 109.92 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.657 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -151.58 -168.36 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 73.349999999999994 110.959 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.551 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -103.92 159.11 15.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 71.430000000000007 110.452 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -40.9 -42.68 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 73.219999999999999 111.001 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.539 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -77.57 -31.45 53.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 53.530000000000001 110.371 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.679 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -93.7 9.7 35.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.519999999999996 110.326 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.857 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 36.3 t -69.64 -30.55 2.14 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 72.409999999999997 108.34 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.857 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.0 Cg_endo -75.07 1.6 7.6 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.56 1.821 . . . . 65.310000000000002 110.985 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -100.39 -26.06 14.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.107 . . . . 72.200000000000003 109.312 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.731 ' CB ' ' CD2' ' A' ' 12' ' ' HIS . 20.0 m . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 70.420000000000002 108.306 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.304 -0.628 . . . . 73.230000000000004 109.304 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.71 ' N ' ' O ' ' A' ' 14' ' ' MET . 1.4 t -111.61 -178.47 3.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 1.121 . . . . 44.43 108.356 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.27 24.24 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 52.520000000000003 109.269 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.685 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -140.53 -47.65 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 61.43 109.624 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.635 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 4.3 p 147.67 43.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 63.43 109.984 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.71 ' O ' ' N ' ' A' ' 10' ' ' CYS . 1.2 ttm -156.56 -154.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 63.32 110.991 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -106.57 158.19 17.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 55.43 110.391 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -42.8 -55.43 3.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 72.5 111.009 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.523 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 1.2 mm-40 -61.14 -25.84 67.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 72.239999999999995 110.364 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.695 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -91.67 2.66 56.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 75.409999999999997 110.267 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.786 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 8.9 t -59.53 -34.84 24.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 71.120000000000005 108.241 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.786 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.4 Cg_endo -75.0 -4.05 14.83 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.587 1.835 . . . . 70.400000000000006 110.989 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -96.6 -31.52 12.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 64.430000000000007 109.215 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.685 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 6.6 m . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.138 . . . . 64.109999999999999 108.332 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.55 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.339 -0.615 . . . . 75.349999999999994 109.339 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.73 ' N ' ' O ' ' A' ' 14' ' ' MET . 1.8 t -112.34 -178.68 3.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 73.25 108.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.15 15.05 2.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 74.030000000000001 109.324 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.704 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -132.51 -46.94 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 65.310000000000002 109.596 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.64 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.4 t 146.95 41.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 71.219999999999999 109.994 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.73 ' O ' ' N ' ' A' ' 10' ' ' CYS . 1.7 mtp -151.9 -157.52 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 71.329999999999998 111.05 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -105.21 159.0 16.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 74.349999999999994 110.365 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -41.7 -58.2 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 74.120000000000005 111.009 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.519 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -61.39 -24.65 66.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 71.140000000000001 110.277 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.679 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.3 OUTLIER -92.25 1.73 57.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 71.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.794 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 14.7 t -59.49 -35.38 29.71 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 75.099999999999994 108.345 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.794 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.2 Cg_endo -75.03 -2.78 12.98 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.799 . . . . 73.129999999999995 110.995 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.72 -31.14 13.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 71.109999999999999 109.293 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.704 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 7.8 m . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 45.200000000000003 108.275 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.331 -0.618 . . . . 70.430000000000007 109.331 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.681 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.2 t -110.94 -179.61 3.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 70.439999999999998 108.246 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.55 12.29 3.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 70.219999999999999 109.306 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.637 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -130.42 -47.92 1.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 72.540000000000006 109.588 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.637 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 2.9 m 146.53 45.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 63.229999999999997 110.03 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.681 ' O ' ' N ' ' A' ' 10' ' ' CYS . 2.1 mtm -156.31 -161.73 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 73.030000000000001 110.996 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.513 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -105.78 160.29 15.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 72.099999999999994 110.378 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 1.4 t80 -41.06 -55.5 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 64.019999999999996 111.06 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.502 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -65.53 -28.03 68.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 71.099999999999994 110.291 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.67 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 4.0 mt-10 -93.82 8.07 42.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 64.150000000000006 110.33 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.844 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 52.9 t -68.26 -31.58 3.3 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 54.210000000000001 108.344 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.844 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.1 Cg_endo -75.08 0.34 9.06 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.446 1.761 . . . . 64.450000000000003 110.974 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -99.55 -27.11 13.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 74.230000000000004 109.299 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.636 ' HB3' ' CB ' ' A' ' 12' ' ' HIS . 14.3 m . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 55.350000000000001 108.3 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.584 ' C ' ' O ' ' A' ' 14' ' ' MET . 6.4 mm . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.325 -0.62 . . . . 55.32 109.325 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.728 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.5 OUTLIER -109.64 173.71 6.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 64.519999999999996 108.34 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.31 20.4 4.47 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.558 1.161 . . . . 70.140000000000001 109.245 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.721 ' CD2' ' HB2' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -139.44 -43.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 74.430000000000007 109.579 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.8 m -135.52 -95.76 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 75.219999999999999 110.001 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.728 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -146.99 -80.47 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 72.310000000000002 110.998 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.594 ' O ' ' N ' ' A' ' 19' ' ' CYS . 1.9 p -108.02 177.64 4.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 73.219999999999999 110.496 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -67.04 -27.18 67.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 64.239999999999995 111.01 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.549 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -77.95 -28.57 49.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 74.040000000000006 110.332 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.647 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 3.7 mt-10 -108.68 -2.97 18.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 73.239999999999995 110.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.973 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 4.4 t -124.73 28.8 0.17 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 53.109999999999999 108.282 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.973 ' HD3' ' N ' ' A' ' 19' ' ' CYS . 18.5 Cg_endo -74.96 -27.43 10.1 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.502 1.791 . . . . 63.409999999999997 111.016 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -39.48 69.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 72.439999999999998 109.289 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.721 ' HB2' ' CD2' ' A' ' 12' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 71.299999999999997 108.27 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.586 ' C ' ' O ' ' A' ' 14' ' ' MET . 7.6 mm . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.285 -0.635 . . . . 73.430000000000007 109.285 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.729 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.5 OUTLIER -109.77 173.53 6.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 63.119999999999997 108.306 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.21 20.42 4.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 43.049999999999997 109.297 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.719 ' CD2' ' HB2' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -139.49 -43.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 74.310000000000002 109.613 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.5 m -135.5 -95.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 52.109999999999999 110.004 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.729 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -147.33 -80.32 0.15 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.424 1.077 . . . . 70.120000000000005 110.989 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.592 ' O ' ' N ' ' A' ' 19' ' ' CYS . 2.2 p -108.24 177.56 4.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 63.450000000000003 110.397 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -67.01 -27.07 67.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 64.230000000000004 111.007 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.55 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -78.04 -28.57 49.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 65.230000000000004 110.294 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.648 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 26.7 mt-10 -108.73 -2.93 18.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 75.310000000000002 110.33 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.978 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 4.3 t -124.63 28.67 0.16 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 70.019999999999996 108.316 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.978 ' HD3' ' N ' ' A' ' 19' ' ' CYS . 18.3 Cg_endo -74.94 -26.99 10.53 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.431 1.753 . . . . 44.43 110.991 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.31 -39.49 68.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 73.129999999999995 109.315 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.719 ' HB2' ' CD2' ' A' ' 12' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 70.420000000000002 108.276 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.537 ' C ' ' O ' ' A' ' 14' ' ' MET . 6.3 mm . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.286 -0.635 . . . . 72.340000000000003 109.286 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.765 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.3 OUTLIER -110.53 172.05 7.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 51.539999999999999 108.279 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.55 17.68 5.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 63.340000000000003 109.322 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.721 ' CD2' ' HB2' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -134.54 -42.35 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 73.510000000000005 109.566 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.7 m -140.02 -94.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 64.439999999999998 109.965 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.765 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -145.57 -86.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 60.520000000000003 111.014 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.589 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER -108.21 156.32 19.47 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.532 1.145 . . . . 60.219999999999999 110.423 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.455 ' O ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -46.57 -39.1 10.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.182 . . . . 73.230000000000004 110.943 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -57.02 -35.92 69.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 74.0 110.225 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.642 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 2.3 tt0 -110.5 1.3 18.14 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 54.130000000000003 110.31 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.996 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 2.4 t -122.28 26.53 0.12 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 72.209999999999994 108.384 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.996 ' HD3' ' N ' ' A' ' 19' ' ' CYS . 18.5 Cg_endo -74.89 -25.08 12.44 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.536 1.808 . . . . 74.099999999999994 111.061 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.58 -38.13 55.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 63.310000000000002 109.332 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.721 ' HB2' ' CD2' ' A' ' 12' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 73.439999999999998 108.327 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.6 ' C ' ' O ' ' A' ' 14' ' ' MET . 6.1 mm . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.277 -0.638 . . . . 75.140000000000001 109.277 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.729 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.5 OUTLIER -109.69 173.47 6.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.412 1.07 . . . . 74.319999999999993 108.273 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.12 21.07 3.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 73.040000000000006 109.316 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.732 ' CD2' ' HB2' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -140.71 -43.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 75.329999999999998 109.606 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 m -135.65 -95.99 0.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 61.530000000000001 109.946 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.729 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -146.53 -79.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 74.340000000000003 111.001 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.589 ' O ' ' N ' ' A' ' 19' ' ' CYS . 3.0 p -108.17 173.56 6.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 44.039999999999999 110.473 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -66.8 -25.97 66.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 75.049999999999997 111.019 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.542 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -76.78 -30.18 56.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 75.239999999999995 110.294 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.641 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -109.5 -1.61 18.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 73.150000000000006 110.308 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.985 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 5.3 t -124.01 28.24 0.15 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 74.519999999999996 108.274 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.985 ' HD3' ' N ' ' A' ' 19' ' ' CYS . 18.3 Cg_endo -74.98 -27.71 9.82 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.797 . . . . 71.120000000000005 110.965 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -38.28 73.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 71.239999999999995 109.255 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.732 ' HB2' ' CD2' ' A' ' 12' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 73.030000000000001 108.294 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.257 -0.646 . . . . 73.349999999999994 109.257 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.566 ' C ' ' H ' ' A' ' 12' ' ' HIS . 1.7 p -112.87 -170.79 1.74 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 73.420000000000002 108.327 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.586 ' C ' ' CD2' ' A' ' 12' ' ' HIS . . . -73.67 36.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 51.229999999999997 109.301 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.686 ' CD2' ' N ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -158.01 -58.98 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 74.150000000000006 109.589 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.638 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.1 m 145.8 70.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 72.25 110.031 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.467 ' CG ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER 177.48 -177.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 72.530000000000001 110.972 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.689 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -99.56 157.91 16.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 1.155 . . . . 51.130000000000003 110.365 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.422 ' O ' ' HD3' ' A' ' 20' ' ' PRO . 76.7 m-85 -38.53 -31.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 73.400000000000006 110.964 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.459 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 10.0 pt-20 -78.58 -44.06 25.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 54.420000000000002 110.25 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 15' ' ' THR . 3.5 mt-10 -98.68 10.98 39.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 65.430000000000007 110.247 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.804 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 32.6 t -76.09 -35.15 1.58 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 71.439999999999998 108.272 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.804 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.1 Cg_endo -75.07 -1.03 10.71 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.466 1.772 . . . . 65.019999999999996 111.007 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -97.01 -21.5 17.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 75.349999999999994 109.247 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.535 ' HB3' ' CB ' ' A' ' 12' ' ' HIS . 16.9 m . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 75.140000000000001 108.262 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.632 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.322 -0.621 . . . . 74.040000000000006 109.322 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.536 ' CB ' ' HG ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER -111.24 -170.78 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 62.43 108.285 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.33 -19.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 62.32 109.338 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.649 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -94.26 -64.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 74.109999999999999 109.609 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.592 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 1.6 m 151.27 33.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 75.129999999999995 110.002 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.632 ' O ' ' N ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -140.87 -160.19 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.598 1.186 . . . . 72.25 111.051 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.541 HG23 ' SD ' ' A' ' 14' ' ' MET . 0.1 OUTLIER -97.54 157.18 16.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 75.319999999999993 110.369 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.478 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -46.04 -34.58 4.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.153 . . . . 70.519999999999996 111.046 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.518 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.7 OUTLIER -74.54 -29.41 61.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 73.120000000000005 110.285 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.504 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.4 OUTLIER -93.0 -2.82 55.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 72.530000000000001 110.311 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.678 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -54.48 -42.54 95.02 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 74.310000000000002 108.349 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.678 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.5 Cg_endo -75.02 -10.18 21.07 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.48 1.779 . . . . 71.010000000000005 110.995 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -99.33 -24.57 14.77 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.144 . . . . 72.430000000000007 109.265 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.649 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 84.4 m . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 73.209999999999994 108.31 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.784 ' N ' HD12 ' A' ' 9' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.255 -0.646 . . . . 74.25 109.255 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.594 ' N ' ' O ' ' A' ' 14' ' ' MET . 4.4 t -114.07 -178.59 3.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 72.299999999999997 108.334 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.42 29.12 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 65.329999999999998 109.364 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.706 ' CG ' ' HB2' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -149.49 -46.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 71.0 109.615 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.677 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 4.7 t 142.99 79.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 71.239999999999995 109.957 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.594 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.4 OUTLIER 153.86 -170.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 61.43 110.972 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.763 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -102.74 143.51 32.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 65.140000000000001 110.427 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -41.62 -29.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 63.219999999999999 111.013 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.555 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -84.72 -41.52 16.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 73.540000000000006 110.293 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.638 ' C ' ' CD ' ' A' ' 20' ' ' PRO . 10.6 tp10 -104.36 18.35 22.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 70.340000000000003 110.296 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.995 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 17.8 t -120.7 24.28 0.11 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 73.049999999999997 108.298 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.995 ' HD3' ' N ' ' A' ' 19' ' ' CYS . 18.2 Cg_endo -75.08 -5.03 16.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.436 1.756 . . . . 65.329999999999998 110.951 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.21 -36.88 16.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 72.319999999999993 109.307 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.706 ' HB2' ' CG ' ' A' ' 12' ' ' HIS . 13.1 p . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 73.349999999999994 108.313 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.419 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.513 0.197 . . . . 43.049999999999997 111.063 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.425 ' C ' HG22 ' A' ' 3' ' ' THR . . . 62.99 31.88 15.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 73.109999999999999 109.27 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.733 ' O ' HG23 ' A' ' 4' ' ' THR . 1.2 t 39.99 77.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 61.219999999999999 110.374 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.733 HG23 ' O ' ' A' ' 3' ' ' THR . 0.5 OUTLIER -163.23 124.64 2.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 65.140000000000001 110.41 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.8 mtt -154.59 -47.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 72.140000000000001 110.987 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 71.4 91.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 71.340000000000003 110.249 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.846 ' HG3' HD12 ' A' ' 9' ' ' ILE . 9.0 pt20 170.39 40.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 70.150000000000006 110.249 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.78 ' HA ' HG23 ' A' ' 15' ' ' THR . 3.4 mt-10 52.33 86.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 74.519999999999996 110.276 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.866 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -135.36 89.13 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 74.239999999999995 109.34 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.694 ' N ' ' O ' ' A' ' 14' ' ' MET . 2.7 t -113.26 -178.71 3.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 62.299999999999997 108.333 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.04 12.91 3.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 74.409999999999997 109.259 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.668 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -130.34 -45.88 1.1 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.541 1.15 . . . . 72.439999999999998 109.608 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.668 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 8.4 p 143.54 45.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.406 1.067 . . . . 74.200000000000003 109.922 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.694 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -156.76 -162.86 1.31 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.088 . . . . 74.409999999999997 110.917 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.78 HG23 ' HA ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -102.54 159.36 15.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 74.140000000000001 110.387 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -41.73 -54.29 3.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 73.420000000000002 111.008 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.514 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -64.59 -27.62 69.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 71.25 110.351 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.621 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 3.0 mm-40 -93.31 4.48 53.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 72.239999999999995 110.371 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.798 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 51.9 t -62.2 -35.6 22.06 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 64.430000000000007 108.337 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.798 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.0 Cg_endo -75.06 -5.6 16.96 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.509 1.794 . . . . 73.310000000000002 110.965 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.471 ' CB ' ' OE1' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -98.72 -19.14 17.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 54.210000000000001 109.315 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.627 ' HB3' ' CB ' ' A' ' 12' ' ' HIS . 79.2 m -51.27 -46.52 62.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 52.43 108.254 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.77 -44.11 10.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 64.430000000000007 109.97 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.414 ' O ' ' CD ' ' A' ' 21' ' ' LYS . . . -78.42 60.24 2.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 51.5 109.368 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.11 12.58 33.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 70.219999999999999 109.329 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 49.74 26.08 1.74 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.133 . . . . 72.310000000000002 110.347 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -138.16 -168.87 2.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.402 1.064 . . . . 73.439999999999998 111.066 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -4.12 33.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 64.120000000000005 110.281 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.54 -50.32 74.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 65.519999999999996 109.245 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.4 173.21 40.34 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.517 1.135 . . . . 74.400000000000006 111.024 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -123.93 -42.05 2.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 0.744 . . . . 74.329999999999998 110.959 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 73.329999999999998 111.041 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.0 mmm . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.471 0.176 . . . . 63.299999999999997 110.973 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.7 89.69 3.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 73.239999999999995 109.344 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.1 m -144.4 74.11 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 75.109999999999999 110.412 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -155.45 133.69 11.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 61.409999999999997 110.405 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.66 -33.32 11.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 74.340000000000003 110.967 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 45.37 77.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.615 1.197 . . . . 74.340000000000003 110.32 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 10.1 mt-30 -131.71 8.97 4.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 74.120000000000005 110.314 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.797 ' HA ' HG23 ' A' ' 15' ' ' THR . 1.2 mt-10 85.14 72.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 63.210000000000001 110.277 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.564 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.3 pp -137.86 90.37 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 75.219999999999999 109.28 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.652 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.6 t -111.86 179.28 4.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 74.420000000000002 108.292 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.85 7.5 3.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 63.409999999999997 109.334 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.668 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -126.41 -44.26 1.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 65.209999999999994 109.595 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.668 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 12.0 p 141.82 43.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 72.200000000000003 109.997 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.652 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -150.85 -161.14 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 62.229999999999997 110.923 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.797 HG23 ' HA ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -104.03 157.87 16.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 72.329999999999998 110.422 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -41.71 -52.39 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 75.349999999999994 111.025 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -67.51 -27.46 67.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.103 . . . . 65.150000000000006 110.288 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.641 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 1.1 tp10 -93.5 5.75 50.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 72.129999999999995 110.3 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.814 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 52.5 t -64.21 -34.26 11.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.406 1.066 . . . . 61.5 108.269 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.814 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.4 Cg_endo -75.0 -2.08 12.08 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.481 1.779 . . . . 72.239999999999995 111.021 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.603 ' O ' HD12 ' A' ' 25' ' ' LEU . 21.1 mmtt -99.82 -24.61 14.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 55.420000000000002 109.332 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.655 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 38.5 m -49.65 -51.36 38.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 71.230000000000004 108.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.01 -43.01 11.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 72.310000000000002 109.937 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 20' ' ' PRO . . . -101.98 63.62 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 74.420000000000002 109.336 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.603 HD12 ' O ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -78.87 -0.48 30.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 62.399999999999999 109.256 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.55 27.42 2.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 73.230000000000004 110.233 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -112.54 16.7 19.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 74.209999999999994 110.955 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 48.88 30.01 2.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 73.230000000000004 110.344 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -79.29 -24.17 43.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 64.129999999999995 109.272 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 126.72 156.28 9.15 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.483 1.114 . . . . 73.400000000000006 111.01 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -176.95 -172.04 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 0.784 . . . . 70.450000000000003 111.011 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 33.5 t80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 72.209999999999994 111.013 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 ttt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.53 0.205 . . . . 74.450000000000003 111.03 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 60.75 112.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 24.43 109.333 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.663 HG22 ' H ' ' A' ' 5' ' ' MET . 18.0 m -151.72 -87.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 42.009999999999998 110.392 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.7 34.95 17.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 72.209999999999994 110.326 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.663 ' H ' HG22 ' A' ' 3' ' ' THR . 1.2 mmt -112.7 -34.96 5.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.423 1.077 . . . . 75.439999999999998 110.917 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.447 ' CB ' ' O ' ' A' ' 5' ' ' MET . 0.7 OUTLIER 83.41 91.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 63.240000000000002 110.339 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.432 ' O ' HG13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -163.28 -164.75 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.591 1.182 . . . . 54.509999999999998 110.229 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.935 ' HA ' HG23 ' A' ' 15' ' ' THR . 3.3 pt-20 -65.13 79.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 72.120000000000005 110.33 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.546 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.3 pp -142.21 91.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 71.319999999999993 109.289 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.63 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.2 t -110.09 178.76 4.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 64.319999999999993 108.321 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.8 8.24 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 71.140000000000001 109.353 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.671 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -126.7 -46.05 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 72.349999999999994 109.588 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.663 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.5 m 143.12 44.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 72.450000000000003 110.033 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.63 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -153.75 -160.9 1.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 71.219999999999999 110.951 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.935 HG23 ' HA ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -102.95 158.15 16.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 53.049999999999997 110.38 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -42.58 -49.98 5.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 75.430000000000007 111.003 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.514 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -67.95 -27.29 66.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 73.409999999999997 110.349 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.627 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 1.7 mp0 -93.27 3.48 55.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 74.040000000000006 110.288 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.795 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 41.9 t -61.78 -35.67 24.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 63.399999999999999 108.33 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.795 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.0 Cg_endo -75.08 -3.15 13.49 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.49 1.784 . . . . 75.329999999999998 110.955 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.493 ' O ' HD12 ' A' ' 25' ' ' LEU . 6.5 mmtm -99.52 -24.19 14.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 53.409999999999997 109.331 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.671 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 44.0 m -49.76 -49.39 48.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 72.25 108.324 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.05 -43.29 11.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 73.310000000000002 109.974 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 20' ' ' PRO . . . -86.93 49.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 70.530000000000001 109.291 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -88.58 -12.8 41.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 74.209999999999994 109.285 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 70.33 12.56 7.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 65.450000000000003 110.323 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -111.4 166.74 10.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 75.310000000000002 111.009 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.5 ttt85 -51.5 -22.14 2.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 73.319999999999993 110.323 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -46.09 -61.26 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 72.140000000000001 109.285 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.03 150.18 26.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.444 1.09 . . . . 73.040000000000006 111.029 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -86.58 -38.35 17.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 75.230000000000004 111.004 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.534 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 18.7 t80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 74.049999999999997 111.021 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.505 0.193 . . . . 61.32 110.968 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.5 179.0 2.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 44.409999999999997 109.215 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.99 87.25 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 70.129999999999995 110.351 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -168.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 65.109999999999999 110.417 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.5 mtt -105.58 169.33 8.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 74.310000000000002 111.012 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -121.51 113.28 19.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 70.549999999999997 110.265 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.479 ' C ' ' CG ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -172.3 -51.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 73.310000000000002 110.335 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.787 ' HA ' HG23 ' A' ' 15' ' ' THR . 0.0 OUTLIER 178.47 85.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 63.340000000000003 110.303 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.758 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -129.18 89.54 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 74.230000000000004 109.308 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.725 ' N ' ' O ' ' A' ' 14' ' ' MET . 2.0 t -112.49 -179.84 3.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 75.120000000000005 108.317 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.45 10.75 2.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 71.310000000000002 109.272 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.702 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -128.59 -46.15 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 75.120000000000005 109.591 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.2 m 144.97 42.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 73.439999999999998 109.951 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.725 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -151.95 -159.55 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 64.430000000000007 110.959 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.787 HG23 ' HA ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -103.18 158.23 16.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 73.230000000000004 110.404 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -41.32 -60.64 1.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 75.430000000000007 110.96 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -59.42 -24.29 63.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 74.040000000000006 110.315 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.689 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -93.02 2.23 56.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.627 1.204 . . . . 74.409999999999997 110.288 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.808 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 28.7 t -60.96 -34.44 18.08 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 63.039999999999999 108.26 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.808 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.5 Cg_endo -74.9 -3.76 14.4 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.531 1.806 . . . . 75.140000000000001 111.036 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.578 ' O ' HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -95.47 -30.78 13.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 74.019999999999996 109.342 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.702 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 5.7 m -52.76 -31.08 36.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 54.420000000000002 108.299 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.7 -45.0 10.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.107 . . . . 65.349999999999994 110.02 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.33 65.32 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 64.120000000000005 109.302 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.578 HD22 ' O ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -71.69 -18.93 62.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 70.310000000000002 109.32 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 65.1 12.06 7.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 72.540000000000006 110.329 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -121.89 174.69 6.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 72.430000000000007 111.012 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -10.17 43.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.401 1.063 . . . . 73.530000000000001 110.336 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.32 -46.47 62.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 64.409999999999997 109.294 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 32' ' ' TYR . . . -81.65 -146.87 5.63 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.499 1.124 . . . . 65.200000000000003 110.986 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 57.12 -86.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 64.019999999999996 110.992 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.431 ' N ' ' O ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 71.409999999999997 111.04 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.48 0.181 . . . . 71.310000000000002 110.99 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -42.68 -53.28 4.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 73.319999999999993 109.323 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.17 -176.13 4.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 73.450000000000003 110.403 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.82 178.74 7.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 75.209999999999994 110.434 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 9.2 mtt -37.89 -57.24 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 60.539999999999999 111.0 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.72 76.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 74.439999999999998 110.315 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.19 -82.3 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 71.349999999999994 110.346 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.734 ' HA ' HG22 ' A' ' 15' ' ' THR . 8.6 mt-10 -138.12 59.66 1.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 73.239999999999995 110.259 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.524 ' CA ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -147.1 108.14 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 74.530000000000001 109.318 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.659 ' N ' ' O ' ' A' ' 14' ' ' MET . 1.8 t -109.42 179.89 4.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 71.140000000000001 108.259 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.41 6.03 7.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 73.329999999999998 109.297 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.655 ' CB ' ' HB3' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -118.55 -50.09 2.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 71.430000000000007 109.618 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.641 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 2.5 m 147.44 43.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 70.109999999999999 109.982 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.659 ' O ' ' N ' ' A' ' 10' ' ' CYS . 1.1 ttm -152.46 -151.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 72.400000000000006 110.948 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.734 HG22 ' HA ' ' A' ' 8' ' ' GLU . 2.6 p -107.77 157.64 17.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 72.25 110.365 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -42.71 -58.3 2.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 74.319999999999993 110.985 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.535 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -59.46 -24.0 63.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.087 . . . . 74.140000000000001 110.311 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.561 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -92.33 0.17 57.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 72.230000000000004 110.308 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.732 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 28.4 t -57.1 -39.89 81.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 72.099999999999994 108.228 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.732 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.2 Cg_endo -75.02 -4.82 15.96 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.424 1.75 . . . . 64.540000000000006 110.989 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -99.76 -26.21 14.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 62.329999999999998 109.374 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.655 ' HB3' ' CB ' ' A' ' 12' ' ' HIS . 14.4 m -50.25 -47.57 55.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 62.049999999999997 108.29 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.16 -43.5 10.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 74.420000000000002 110.009 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 20' ' ' PRO . . . -80.97 54.46 2.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 53.32 109.34 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.63 -4.22 55.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 71.319999999999993 109.331 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 55.72 21.01 4.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 71.430000000000007 110.291 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -107.02 -178.46 3.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 73.319999999999993 110.932 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.8 -6.48 45.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 73.420000000000002 110.283 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -43.76 -59.52 2.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 71.450000000000003 109.271 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 53.55 -168.18 1.32 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.11 . . . . 43.32 111.044 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -169.1 89.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 62.310000000000002 111.015 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.414 0 O-C-N 124.462 1.101 . . . . 73.439999999999998 111.034 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.516 0.198 . . . . 75.439999999999998 110.986 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.33 -71.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 75.450000000000003 109.308 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.621 HG22 ' H ' ' A' ' 4' ' ' THR . 2.7 m 40.83 -158.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.445 1.091 . . . . 63.439999999999998 110.349 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.621 ' H ' HG22 ' A' ' 3' ' ' THR . 12.9 t -147.66 43.77 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 70.010000000000005 110.438 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 21.2 mtt -113.73 178.56 4.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 73.140000000000001 110.981 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.43 82.48 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.588 1.18 . . . . 64.239999999999995 110.303 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 13.9 mt-30 -128.29 -50.22 1.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 65.140000000000001 110.22 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.749 ' N ' HG23 ' A' ' 15' ' ' THR . 0.0 OUTLIER 158.62 74.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.425 1.078 . . . . 65.230000000000004 110.27 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -135.26 88.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.575 1.172 . . . . 74.409999999999997 109.291 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.668 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.7 t -113.75 -179.74 3.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 62.240000000000002 108.299 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.78 12.48 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.177 . . . . 51.299999999999997 109.291 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.667 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -130.63 -46.84 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 74.430000000000007 109.593 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.667 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 7.2 p 144.41 48.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.42 1.075 . . . . 70.420000000000002 109.944 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.668 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -158.6 -165.46 1.67 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.445 1.091 . . . . 75.439999999999998 110.981 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.749 HG23 ' N ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -102.77 159.51 15.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 64.450000000000003 110.409 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -42.09 -47.32 4.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 74.439999999999998 110.985 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.508 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -70.92 -30.14 66.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 74.329999999999998 110.3 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.673 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -93.8 8.34 41.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 71.109999999999999 110.285 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.844 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 42.1 t -68.19 -31.51 3.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 72.140000000000001 108.322 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.844 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.2 Cg_endo -75.06 0.78 8.52 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.531 1.806 . . . . 54.450000000000003 110.976 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.33 -26.41 13.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 64.400000000000006 109.356 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.632 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 15.3 m -49.78 -49.31 48.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 74.299999999999997 108.325 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.33 -43.08 11.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 75.310000000000002 109.982 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.754 ' HB3' ' O ' ' A' ' 20' ' ' PRO . . . -75.85 68.29 2.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.175 . . . . 64.049999999999997 109.272 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.97 14.67 3.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 54.130000000000003 109.292 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 40.58 30.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 71.5 110.362 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.7 m-30 -114.05 172.5 6.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 72.209999999999994 110.982 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -6.04 43.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 64.140000000000001 110.257 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -44.34 -73.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 73.109999999999999 109.299 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 55.06 169.64 0.06 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.586 1.179 . . . . 73.510000000000005 111.029 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.14 126.06 43.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 0.805 . . . . 74.439999999999998 110.966 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 63.229999999999997 110.974 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ttt . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.419 0.152 . . . . 74.040000000000006 110.983 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.13 64.52 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 72.430000000000007 109.301 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 85.2 m -92.47 142.49 27.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 64.219999999999999 110.386 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.94 155.4 38.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 64.200000000000003 110.4 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -111.42 162.6 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 53.200000000000003 110.96 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -111.5 80.74 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 61.229999999999997 110.342 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.427 ' O ' HG13 ' A' ' 9' ' ' ILE . 13.5 pt20 -174.21 -159.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 73.129999999999995 110.323 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.934 ' HA ' HG23 ' A' ' 15' ' ' THR . 1.9 mt-10 -64.87 79.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 70.230000000000004 110.339 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.542 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.3 pp -142.37 91.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 72.150000000000006 109.29 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.624 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.1 t -110.32 178.73 4.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 73.510000000000005 108.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.5 7.72 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 75.400000000000006 109.234 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.676 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -126.31 -46.06 1.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 75.040000000000006 109.641 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.664 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.4 m 143.37 44.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 72.549999999999997 109.967 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.624 ' O ' ' N ' ' A' ' 10' ' ' CYS . 3.0 ttm -153.64 -159.57 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 74.400000000000006 110.988 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.934 HG23 ' HA ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -103.38 157.26 17.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 74.230000000000004 110.381 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.06 -49.23 6.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 73.239999999999995 110.972 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.501 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.3 OUTLIER -67.13 -28.54 68.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 60.030000000000001 110.31 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.627 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -93.5 4.0 54.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 74.409999999999997 110.321 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.789 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 42.2 t -60.84 -36.24 32.88 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.467 1.104 . . . . 71.530000000000001 108.31 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.789 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.4 Cg_endo -75.03 -4.06 14.84 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.538 1.809 . . . . 70.549999999999997 111.016 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.645 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . 2.3 mtmm -98.8 -23.85 15.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 64.540000000000006 109.247 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.676 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 55.7 m -49.83 -42.38 47.1 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.496 1.123 . . . . 71.200000000000003 108.289 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 24' ' ' ALA . 2.0 t -89.52 -43.0 11.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 64.0 110.006 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.645 ' HB3' ' HA ' ' A' ' 21' ' ' LYS . . . -38.84 -66.65 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 72.5 109.281 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.43 -16.61 55.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 63.450000000000003 109.317 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.31 20.51 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 70.010000000000005 110.268 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -135.41 160.51 38.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 71.510000000000005 111.036 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -63.16 -12.45 27.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 74.530000000000001 110.302 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -50.01 -84.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 70.109999999999999 109.301 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.81 -29.59 11.07 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.471 1.107 . . . . 65.239999999999995 111.066 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -165.52 127.67 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 70.230000000000004 110.98 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 60.350000000000001 110.993 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.573 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 9.2 mtp . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.523 0.201 . . . . 72.049999999999997 110.906 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 1' ' ' MET . . . 76.15 -161.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.078 . . . . 55.140000000000001 109.282 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 m -40.47 129.6 2.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 75.519999999999996 110.41 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.6 167.13 19.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 72.439999999999998 110.369 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 34.7 mtt 59.23 173.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 61.409999999999997 111.04 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.08 111.19 19.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 74.329999999999998 110.264 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.37 -37.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.572 1.17 . . . . 74.200000000000003 110.292 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.907 ' HA ' HG22 ' A' ' 15' ' ' THR . 1.8 tm-20 -108.52 74.12 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 64.010000000000005 110.313 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.874 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -143.59 101.08 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 71.299999999999997 109.326 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.645 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.1 t -110.27 178.68 4.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 51.009999999999998 108.317 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.25 7.15 2.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 32.200000000000003 109.346 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.687 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -124.4 -46.46 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 65.329999999999998 109.597 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.664 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 8.6 p 143.72 43.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 53.32 109.984 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.645 ' O ' ' N ' ' A' ' 10' ' ' CYS . 1.1 ttt -151.57 -155.26 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 72.340000000000003 111.009 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.907 HG22 ' HA ' ' A' ' 8' ' ' GLU . 6.4 p -104.69 156.95 17.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 71.129999999999995 110.451 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -43.7 -48.56 7.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 72.299999999999997 110.974 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.536 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -67.92 -26.14 65.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.169 . . . . 74.310000000000002 110.311 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.593 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.3 OUTLIER -92.17 1.15 57.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 65.219999999999999 110.288 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.748 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 34.8 t -57.35 -38.86 72.55 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 70.319999999999993 108.315 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.748 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.2 Cg_endo -74.97 -5.35 16.69 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.45 1.763 . . . . 74.510000000000005 110.967 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.38 -23.66 15.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 70.420000000000002 109.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.687 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 58.8 m -48.96 -49.79 38.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 65.209999999999994 108.357 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.27 -43.99 10.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 53.340000000000003 110.021 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 20' ' ' PRO . . . -92.23 55.95 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 73.409999999999997 109.292 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.627 HD22 ' CD2' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -82.0 2.88 28.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 74.129999999999995 109.301 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.534 ' O ' ' CG ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER 37.69 30.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 74.209999999999994 110.313 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.627 ' CD2' HD22 ' A' ' 25' ' ' LEU . 3.0 m-30 -112.77 13.52 19.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 75.129999999999995 111.003 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 63.7 12.27 6.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 72.010000000000005 110.296 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -82.0 -41.82 20.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 71.510000000000005 109.274 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 58.94 -101.13 0.2 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 73.530000000000001 111.059 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -110.99 48.62 0.91 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 0.779 . . . . 74.120000000000005 111.062 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 65.329999999999998 110.989 -179.942 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.48 ' O ' ' CG ' ' A' ' 1' ' ' MET . 1.5 ptt? . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.505 0.193 . . . . 55.310000000000002 110.964 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.94 179.06 9.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.163 . . . . 71.140000000000001 109.298 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.4 m -94.77 112.02 23.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.592 1.183 . . . . 72.540000000000006 110.41 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.65 122.7 43.74 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.602 1.189 . . . . 63.539999999999999 110.404 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -43.33 14.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 74.129999999999995 111.019 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.45 ' C ' ' CG ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 69.06 74.71 0.25 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.113 . . . . 71.230000000000004 110.313 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.505 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER 179.46 39.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 54.049999999999997 110.359 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.744 ' HA ' HG23 ' A' ' 15' ' ' THR . 0.5 OUTLIER 86.76 84.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 74.010000000000005 110.293 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.869 ' H ' HD12 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -143.06 87.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 62.109999999999999 109.3 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.678 ' N ' ' O ' ' A' ' 14' ' ' MET . 4.0 t -113.56 179.69 3.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 64.209999999999994 108.28 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.42 9.49 3.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 64.409999999999997 109.302 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.674 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -127.86 -46.48 1.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 72.340000000000003 109.609 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.674 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.4 m 143.91 46.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 72.409999999999997 109.986 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.678 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.8 OUTLIER -154.98 -167.45 2.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 60.439999999999998 110.997 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.744 HG23 ' HA ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -102.56 158.76 16.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 70.140000000000001 110.477 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -42.31 -39.17 2.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.086 . . . . 74.409999999999997 110.984 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.545 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -77.16 -32.01 55.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 52.420000000000002 110.296 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.662 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.3 OUTLIER -94.05 8.08 42.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 71.430000000000007 110.296 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.838 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 43.4 t -67.17 -32.28 4.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 72.239999999999995 108.325 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.838 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.3 Cg_endo -75.09 1.11 8.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.445 1.76 . . . . 73.340000000000003 110.958 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.64 -26.58 13.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 74.540000000000006 109.265 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.644 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 16.2 m -49.28 -49.51 43.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 65.519999999999996 108.275 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.46 -43.56 10.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 73.409999999999997 109.948 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.784 ' HB3' ' O ' ' A' ' 20' ' ' PRO . . . -85.01 50.25 1.9 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 1.14 . . . . 62.520000000000003 109.256 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 tp -90.76 -3.31 57.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 75.140000000000001 109.262 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 49.24 28.46 2.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 74.340000000000003 110.283 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -123.03 30.82 6.23 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.456 1.097 . . . . 73.409999999999997 110.986 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 47.92 25.37 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 63.450000000000003 110.259 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -80.71 -60.81 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 64.230000000000004 109.254 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.05 -129.3 23.1 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.456 1.097 . . . . 73.329999999999998 110.993 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.589 ' CD2' ' O ' ' A' ' 32' ' ' TYR . 61.9 t80 -111.21 170.83 7.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 0.726 . . . . 73.129999999999995 110.973 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.589 ' O ' ' CD2' ' A' ' 31' ' ' PHE . 29.7 t80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 71.420000000000002 111.003 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 mtt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.485 0.183 . . . . 73.120000000000005 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.0 92.43 4.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 1.159 . . . . 72.340000000000003 109.365 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.83 89.24 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 51.409999999999997 110.45 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.49 ' O ' ' CB ' ' A' ' 5' ' ' MET . 1.0 OUTLIER -98.84 -140.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 74.549999999999997 110.306 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.49 ' CB ' ' O ' ' A' ' 4' ' ' THR . 0.0 OUTLIER 80.26 -5.48 1.79 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 63.149999999999999 111.034 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 39.43 82.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 73.219999999999999 110.299 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.554 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 3.2 mm100 -131.33 -44.72 1.01 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.088 . . . . 52.210000000000001 110.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.821 ' N ' HG23 ' A' ' 15' ' ' THR . 0.6 OUTLIER 156.78 77.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 74.040000000000006 110.282 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.863 ' H ' HD12 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -143.98 88.06 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 73.430000000000007 109.232 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.657 ' N ' ' O ' ' A' ' 14' ' ' MET . 4.1 t -113.83 -179.68 3.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 64.519999999999996 108.315 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.71 9.95 3.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 73.549999999999997 109.266 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.68 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -129.71 -45.38 1.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 74.349999999999994 109.557 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.68 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.5 m 143.14 44.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 72.319999999999993 109.92 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.657 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -151.58 -168.36 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 73.349999999999994 110.959 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.821 HG23 ' N ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -103.92 159.11 15.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 71.430000000000007 110.452 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -40.9 -42.68 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 73.219999999999999 111.001 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.539 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -77.57 -31.45 53.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 53.530000000000001 110.371 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.679 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -93.7 9.7 35.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.519999999999996 110.326 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.857 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 36.3 t -69.64 -30.55 2.14 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 72.409999999999997 108.34 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.857 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.0 Cg_endo -75.07 1.6 7.6 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.56 1.821 . . . . 65.310000000000002 110.985 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -100.39 -26.06 14.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.107 . . . . 72.200000000000003 109.312 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.63 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 20.0 m -49.43 -49.13 46.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 70.420000000000002 108.306 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.31 -41.58 12.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 32.109999999999999 110.031 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 20' ' ' PRO . . . -72.74 68.16 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 71.409999999999997 109.356 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -153.03 81.84 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 72.530000000000001 109.304 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -36.94 -30.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 74.140000000000001 110.317 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -39.43 160.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 71.549999999999997 111.027 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -53.02 -19.14 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 73.450000000000003 110.263 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' ARG . 0.3 OUTLIER -39.65 -34.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 52.210000000000001 109.334 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -41.23 149.15 0.25 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.543 1.152 . . . . 43.130000000000003 110.966 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -37.97 128.39 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 62.039999999999999 110.99 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 71.019999999999996 111.0 -179.933 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.542 0.211 . . . . 53.340000000000003 111.009 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.55 -59.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 33.310000000000002 109.317 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.1 m 55.05 -91.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 72.209999999999994 110.447 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 98.8 m -126.29 -61.97 1.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.184 . . . . 74.439999999999998 110.325 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 33.2 mmm -106.84 -173.68 2.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 74.409999999999997 110.983 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.831 ' O ' HD11 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -114.15 -87.01 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 72.209999999999994 110.318 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.637 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 0.7 OUTLIER 90.49 -5.4 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 72.400000000000006 110.298 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.976 ' N ' HG23 ' A' ' 15' ' ' THR . 1.8 tm-20 147.95 60.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 72.129999999999995 110.354 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.866 HD13 ' C ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -143.62 92.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 73.230000000000004 109.304 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.71 ' N ' ' O ' ' A' ' 14' ' ' MET . 1.4 t -111.61 -178.47 3.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 1.121 . . . . 44.43 108.356 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.27 24.24 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 52.520000000000003 109.269 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.685 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -140.53 -47.65 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 61.43 109.624 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.635 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 4.3 p 147.67 43.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 63.43 109.984 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.71 ' O ' ' N ' ' A' ' 10' ' ' CYS . 1.2 ttm -156.56 -154.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 63.32 110.991 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.976 HG23 ' N ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -106.57 158.19 17.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 55.43 110.391 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -42.8 -55.43 3.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 72.5 111.009 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.523 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 1.2 mm-40 -61.14 -25.84 67.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 72.239999999999995 110.364 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.695 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -91.67 2.66 56.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 75.409999999999997 110.267 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.786 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 8.9 t -59.53 -34.84 24.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 71.120000000000005 108.241 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.786 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.4 Cg_endo -75.0 -4.05 14.83 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.587 1.835 . . . . 70.400000000000006 110.989 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -96.6 -31.52 12.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 64.430000000000007 109.215 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.685 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 6.6 m -52.7 -30.14 30.57 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.138 . . . . 64.109999999999999 108.332 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.93 -44.85 10.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.536 1.148 . . . . 54.329999999999998 109.989 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 26' ' ' GLN . . . -48.68 -47.46 40.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 74.519999999999996 109.313 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.614 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.4 OUTLIER 37.19 33.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 72.439999999999998 109.273 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.482 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER 32.15 39.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 53.229999999999997 110.327 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.567 ' CG ' HD13 ' A' ' 25' ' ' LEU . 1.1 m-85 -131.12 27.77 4.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 72.329999999999998 110.98 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 16.1 ptt-85 45.11 25.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 74.409999999999997 110.377 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.407 ' N ' ' C ' ' A' ' 27' ' ' TYR . 1.2 t-20 -91.13 14.21 14.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 65.200000000000003 109.332 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 31' ' ' PHE . . . -72.3 129.49 14.77 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.456 1.097 . . . . 41.439999999999998 110.971 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.414 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 0.2 OUTLIER 167.8 165.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.738 . . . . 74.120000000000005 110.974 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 64.120000000000005 111.014 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.56 0.219 . . . . 73.219999999999999 110.973 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 41.39 67.45 0.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 63.509999999999998 109.308 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 p -48.2 151.62 0.98 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.435 1.084 . . . . 73.129999999999995 110.342 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 t -150.21 72.44 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 75.019999999999996 110.356 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -50.8 24.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 71.549999999999997 111.029 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 75.63 88.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 70.109999999999999 110.311 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.842 ' O ' HG23 ' A' ' 15' ' ' THR . 5.7 pt20 176.67 -133.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 61.340000000000003 110.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.791 ' HA ' HG23 ' A' ' 15' ' ' THR . 4.5 pm0 -86.41 90.79 8.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 55.420000000000002 110.358 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.55 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -133.05 90.86 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 75.349999999999994 109.339 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.73 ' N ' ' O ' ' A' ' 14' ' ' MET . 1.8 t -112.34 -178.68 3.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 73.25 108.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.15 15.05 2.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 74.030000000000001 109.324 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.704 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -132.51 -46.94 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 65.310000000000002 109.596 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.64 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.4 t 146.95 41.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 71.219999999999999 109.994 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.73 ' O ' ' N ' ' A' ' 10' ' ' CYS . 1.7 mtp -151.9 -157.52 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 71.329999999999998 111.05 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.842 HG23 ' O ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -105.21 159.0 16.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 74.349999999999994 110.365 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -41.7 -58.2 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 74.120000000000005 111.009 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.519 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -61.39 -24.65 66.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 71.140000000000001 110.277 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.679 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.3 OUTLIER -92.25 1.73 57.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 71.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.794 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 14.7 t -59.49 -35.38 29.71 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 75.099999999999994 108.345 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.794 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.2 Cg_endo -75.03 -2.78 12.98 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.799 . . . . 73.129999999999995 110.995 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.72 -31.14 13.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 71.109999999999999 109.293 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.704 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 7.8 m -52.93 -30.96 37.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 45.200000000000003 108.275 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -44.75 10.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 75.120000000000005 109.978 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.47 66.1 9.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 75.019999999999996 109.325 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.51 -5.14 58.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 71.049999999999997 109.304 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 64.69 19.18 11.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.602 1.189 . . . . 73.510000000000005 110.327 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -120.48 175.71 5.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 74.5 111.045 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.32 -18.31 10.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 72.25 110.313 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.27 -36.87 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 71.239999999999995 109.255 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.33 123.32 5.68 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.445 1.091 . . . . 72.409999999999997 111.019 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 62.46 136.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 73.030000000000001 110.993 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 63.039999999999999 111.004 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.43 0.157 . . . . 64.439999999999998 110.904 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.62 ' C ' HG22 ' A' ' 3' ' ' THR . . . -94.31 -6.07 45.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 74.120000000000005 109.249 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.62 HG22 ' C ' ' A' ' 2' ' ' ALA . 0.5 OUTLIER -171.07 -62.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 71.109999999999999 110.361 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 49.04 -160.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 73.439999999999998 110.39 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.4 mmt 61.07 176.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 75.140000000000001 111.014 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.9 ' O ' HD11 ' A' ' 9' ' ' ILE . 3.1 mt-10 -104.08 -94.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 71.329999999999998 110.337 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.587 ' CB ' ' O ' ' A' ' 6' ' ' GLU . 0.9 OUTLIER 92.78 39.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 75.120000000000005 110.274 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.789 ' N ' HG23 ' A' ' 15' ' ' THR . 1.5 mm-40 92.09 65.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 71.219999999999999 110.296 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.9 HD11 ' O ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -143.64 93.41 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 70.430000000000007 109.331 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.681 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.2 t -110.94 -179.61 3.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 70.439999999999998 108.246 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.55 12.29 3.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 70.219999999999999 109.306 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.637 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -130.42 -47.92 1.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 72.540000000000006 109.588 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.637 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 2.9 m 146.53 45.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 63.229999999999997 110.03 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.681 ' O ' ' N ' ' A' ' 10' ' ' CYS . 2.1 mtm -156.31 -161.73 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 73.030000000000001 110.996 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.789 HG23 ' N ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -105.78 160.29 15.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 72.099999999999994 110.378 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 1.4 t80 -41.06 -55.5 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 64.019999999999996 111.06 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.502 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -65.53 -28.03 68.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 71.099999999999994 110.291 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.67 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 4.0 mt-10 -93.82 8.07 42.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 64.150000000000006 110.33 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.844 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 52.9 t -68.26 -31.58 3.3 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 54.210000000000001 108.344 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.844 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.1 Cg_endo -75.08 0.34 9.06 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.446 1.761 . . . . 64.450000000000003 110.974 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.594 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . 28.5 mmtm -99.55 -27.11 13.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 74.230000000000004 109.299 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.636 ' HB3' ' CB ' ' A' ' 12' ' ' HIS . 14.3 m -50.34 -40.07 48.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 55.350000000000001 108.3 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 24' ' ' ALA . 1.6 t -89.46 -44.19 10.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 23.550000000000001 109.971 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.594 ' HB3' ' HA ' ' A' ' 21' ' ' LYS . . . -40.1 -36.11 0.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.105 . . . . 61.539999999999999 109.304 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.598 HD23 ' HB2' ' A' ' 29' ' ' ASN . 0.9 OUTLIER -159.6 91.16 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 60.420000000000002 109.316 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.412 ' C ' ' H ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -44.06 -20.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.606 1.191 . . . . 64.239999999999995 110.278 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.507 ' O ' ' CG ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -75.61 11.36 1.33 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.403 1.064 . . . . 71.200000000000003 111.01 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 45.92 24.14 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 74.310000000000002 110.329 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.598 ' HB2' HD23 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -81.64 2.29 30.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 74.400000000000006 109.331 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -42.19 132.63 4.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.54 1.15 . . . . 72.209999999999994 110.979 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 60.41 165.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 64.400000000000006 110.969 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.581 1.175 . . . . 65.430000000000007 111.021 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.49 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 7.9 mtm . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.552 0.215 . . . . 63.049999999999997 110.95 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 1' ' ' MET . . . 71.24 79.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 61.130000000000003 109.279 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -94.73 -144.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 72.140000000000001 110.381 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m -127.7 31.1 5.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 72.439999999999998 110.365 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.2 mtp -107.02 -47.69 3.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 64.040000000000006 111.034 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 41.67 86.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 71.420000000000002 110.241 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.48 -57.84 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 73.439999999999998 110.347 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.92 ' CA ' HG22 ' A' ' 15' ' ' THR . 7.8 mt-10 -135.13 36.41 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.175 . . . . 72.030000000000001 110.302 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.851 HD13 ' O ' ' A' ' 8' ' ' GLU . 6.4 mm -146.61 116.17 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 55.32 109.325 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.728 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.5 OUTLIER -109.64 173.71 6.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 64.519999999999996 108.34 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.31 20.4 4.47 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.558 1.161 . . . . 70.140000000000001 109.245 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.721 ' CD2' ' HB2' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -139.44 -43.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 74.430000000000007 109.579 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.8 m -135.52 -95.76 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 75.219999999999999 110.001 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.728 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -146.99 -80.47 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 72.310000000000002 110.998 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.92 HG22 ' CA ' ' A' ' 8' ' ' GLU . 1.9 p -108.02 177.64 4.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 73.219999999999999 110.496 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -67.04 -27.18 67.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 64.239999999999995 111.01 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.549 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -77.95 -28.57 49.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 74.040000000000006 110.332 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.647 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 3.7 mt-10 -108.68 -2.97 18.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 73.239999999999995 110.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.973 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 4.4 t -124.73 28.8 0.17 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 53.109999999999999 108.282 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.973 ' HD3' ' N ' ' A' ' 19' ' ' CYS . 18.5 Cg_endo -74.96 -27.43 10.1 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.502 1.791 . . . . 63.409999999999997 111.016 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -39.48 69.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 72.439999999999998 109.289 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.721 ' HB2' ' CD2' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -52.65 -28.04 19.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 71.299999999999997 108.27 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.04 -34.43 16.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 75.010000000000005 110.002 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.91 57.21 2.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 61.420000000000002 109.283 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.416 HD12 ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -92.45 2.08 56.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 62.509999999999998 109.359 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 57.87 18.74 5.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 72.549999999999997 110.315 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.416 ' CD2' HD12 ' A' ' 25' ' ' LEU . 2.1 m-85 -108.59 -173.34 2.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.58 1.175 . . . . 64.120000000000005 110.998 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -63.67 -15.82 59.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 63.43 110.309 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -50.42 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 51.549999999999997 109.361 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.05 -173.42 0.05 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.478 1.111 . . . . 64.109999999999999 110.939 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -127.03 92.64 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 70.209999999999994 111.044 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 75.200000000000003 110.999 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 mtt . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.529 0.204 . . . . 70.030000000000001 110.962 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.76 146.01 27.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 71.109999999999999 109.292 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.9 102.48 2.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 64.430000000000007 110.422 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 4' ' ' THR . 1.0 OUTLIER 53.35 89.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 62.509999999999998 110.351 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.4 mtp -72.6 171.33 12.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 74.140000000000001 111.04 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -119.07 38.16 3.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 74.230000000000004 110.327 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -124.37 66.28 1.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 73.150000000000006 110.261 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.922 ' CA ' HG22 ' A' ' 15' ' ' THR . 6.3 mt-10 67.42 36.66 3.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 72.310000000000002 110.374 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.833 HD13 ' O ' ' A' ' 8' ' ' GLU . 7.6 mm -147.0 116.25 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 73.430000000000007 109.285 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.729 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.5 OUTLIER -109.77 173.53 6.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 63.119999999999997 108.306 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.428 ' HB2' ' OG1' ' A' ' 4' ' ' THR . . . -90.21 20.42 4.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 43.049999999999997 109.297 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.719 ' CD2' ' HB2' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -139.49 -43.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 74.310000000000002 109.613 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.5 m -135.5 -95.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 52.109999999999999 110.004 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.729 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -147.33 -80.32 0.15 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.424 1.077 . . . . 70.120000000000005 110.989 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.922 HG22 ' CA ' ' A' ' 8' ' ' GLU . 2.2 p -108.24 177.56 4.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 63.450000000000003 110.397 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -67.01 -27.07 67.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 64.230000000000004 111.007 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.55 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -78.04 -28.57 49.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 65.230000000000004 110.294 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.648 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 26.7 mt-10 -108.73 -2.93 18.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 75.310000000000002 110.33 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.978 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 4.3 t -124.63 28.67 0.16 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 70.019999999999996 108.316 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.978 ' HD3' ' N ' ' A' ' 19' ' ' CYS . 18.3 Cg_endo -74.94 -26.99 10.53 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.431 1.753 . . . . 44.43 110.991 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.31 -39.49 68.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 73.129999999999995 109.315 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.719 ' HB2' ' CD2' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -52.63 -25.82 11.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 70.420000000000002 108.276 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.18 -34.0 22.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 71.209999999999994 109.961 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -112.81 53.26 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 63.530000000000001 109.303 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 22' ' ' CYS . 1.5 tp -80.44 -2.84 47.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 70.329999999999998 109.258 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 64.86 12.25 7.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 74.209999999999994 110.268 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -124.9 163.3 22.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 73.019999999999996 110.994 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.57 -21.35 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 74.549999999999997 110.313 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.74 -57.55 2.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 73.109999999999999 109.341 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.23 73.91 0.14 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.601 1.188 . . . . 73.140000000000001 111.044 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.578 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 1.1 t80 -114.36 20.29 15.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 0.787 . . . . 73.519999999999996 110.972 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.452 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 71.140000000000001 110.982 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.8 mtm . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.426 0.155 . . . . 74.150000000000006 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.83 164.12 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.59 1.181 . . . . 60.43 109.354 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.7 p -54.66 177.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 73.25 110.348 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.86 163.4 33.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 43.140000000000001 110.431 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 36.6 mtm -111.69 -15.64 13.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 75.299999999999997 110.995 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 46.31 75.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.592 1.183 . . . . 71.019999999999996 110.258 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.423 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 28.8 mm-40 -120.74 45.64 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 74.349999999999994 110.284 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.845 ' O ' HD13 ' A' ' 9' ' ' ILE . 13.1 mt-10 67.68 36.28 3.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.079 . . . . 71.409999999999997 110.363 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.845 HD13 ' O ' ' A' ' 8' ' ' GLU . 6.3 mm -147.07 115.77 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 72.340000000000003 109.286 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.765 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.3 OUTLIER -110.53 172.05 7.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 51.539999999999999 108.279 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.55 17.68 5.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 63.340000000000003 109.322 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.721 ' CD2' ' HB2' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -134.54 -42.35 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 73.510000000000005 109.566 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.7 m -140.02 -94.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 64.439999999999998 109.965 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.765 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -145.57 -86.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 60.520000000000003 111.014 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.8 HG22 ' CA ' ' A' ' 8' ' ' GLU . 0.4 OUTLIER -108.21 156.32 19.47 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.532 1.145 . . . . 60.219999999999999 110.423 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.455 ' O ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -46.57 -39.1 10.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.182 . . . . 73.230000000000004 110.943 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -57.02 -35.92 69.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 74.0 110.225 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.642 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 2.3 tt0 -110.5 1.3 18.14 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 54.130000000000003 110.31 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.996 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 2.4 t -122.28 26.53 0.12 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 72.209999999999994 108.384 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.996 ' HD3' ' N ' ' A' ' 19' ' ' CYS . 18.5 Cg_endo -74.89 -25.08 12.44 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.536 1.808 . . . . 74.099999999999994 111.061 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.58 -38.13 55.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 63.310000000000002 109.332 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.721 ' HB2' ' CD2' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -51.95 -24.96 7.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 73.439999999999998 108.327 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.69 -42.42 11.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 73.329999999999998 109.97 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.63 62.19 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.611 1.195 . . . . 51.32 109.269 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.28 -0.16 56.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 72.140000000000001 109.319 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 48.24 27.05 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 42.299999999999997 110.294 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -113.21 31.22 6.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 71.310000000000002 110.954 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.6 mmt-85 58.36 18.41 5.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 74.140000000000001 110.344 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -93.53 10.83 30.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 71.340000000000003 109.347 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 140.06 75.52 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.118 . . . . 23.109999999999999 110.996 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.419 ' C ' ' CD1' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -133.44 98.29 4.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 74.040000000000006 110.985 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 74.510000000000005 111.037 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mtm . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.526 0.203 . . . . 64.319999999999993 111.001 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.94 43.78 1.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 55.25 109.308 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.494 ' CG2' ' SG ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -112.27 19.42 17.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 71.340000000000003 110.427 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.4 m -124.47 30.25 6.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 75.530000000000001 110.378 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.522 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -128.43 -92.3 0.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.447 1.092 . . . . 72.439999999999998 111.045 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.522 ' CB ' ' O ' ' A' ' 5' ' ' MET . 1.5 tt0 158.17 80.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 74.140000000000001 110.333 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -136.98 -164.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 74.310000000000002 110.3 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.938 ' CA ' HG22 ' A' ' 15' ' ' THR . 0.6 OUTLIER -106.16 38.7 1.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 63.210000000000001 110.328 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.868 HD13 ' O ' ' A' ' 8' ' ' GLU . 6.1 mm -146.37 116.36 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 75.140000000000001 109.277 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.729 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.5 OUTLIER -109.69 173.47 6.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.412 1.07 . . . . 74.319999999999993 108.273 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.12 21.07 3.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 73.040000000000006 109.316 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.732 ' CD2' ' HB2' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -140.71 -43.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 75.329999999999998 109.606 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 m -135.65 -95.99 0.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 61.530000000000001 109.946 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.729 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -146.53 -79.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 74.340000000000003 111.001 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.938 HG22 ' CA ' ' A' ' 8' ' ' GLU . 3.0 p -108.17 173.56 6.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 44.039999999999999 110.473 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -66.8 -25.97 66.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 75.049999999999997 111.019 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.542 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -76.78 -30.18 56.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 75.239999999999995 110.294 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.641 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -109.5 -1.61 18.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 73.150000000000006 110.308 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.985 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 5.3 t -124.01 28.24 0.15 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 74.519999999999996 108.274 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.985 ' HD3' ' N ' ' A' ' 19' ' ' CYS . 18.3 Cg_endo -74.98 -27.71 9.82 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.797 . . . . 71.120000000000005 110.965 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -38.28 73.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 71.239999999999995 109.255 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.732 ' HB2' ' CD2' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -52.65 -24.35 8.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 73.030000000000001 108.294 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.5 t -87.11 -40.13 14.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 72.409999999999997 110.038 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.83 -60.97 2.5 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.515 1.134 . . . . 64.329999999999998 109.338 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.434 HD13 ' CB ' ' A' ' 29' ' ' ASN . 0.7 OUTLIER -69.2 -28.81 66.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 65.510000000000005 109.264 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 63.71 12.14 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 71.549999999999997 110.353 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -119.16 164.28 15.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 74.409999999999997 110.992 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -64.77 -11.26 34.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 65.319999999999993 110.238 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.434 ' CB ' HD13 ' A' ' 25' ' ' LEU . 1.9 m-20 -42.49 -80.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 73.310000000000002 109.324 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.41 156.77 0.29 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 32.020000000000003 111.011 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -146.34 120.83 9.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.757 . . . . 62.43 110.967 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 74.540000000000006 111.003 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.528 0.204 . . . . 75.439999999999998 111.059 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.41 -97.21 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.471 1.107 . . . . 75.420000000000002 109.356 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.9 p -107.12 169.88 8.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 64.530000000000001 110.405 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.6 p -131.55 -176.33 4.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 63.329999999999998 110.391 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 12.8 mmt 65.01 168.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 52.43 111.017 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -115.39 75.82 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 74.030000000000001 110.327 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.697 ' C ' HG23 ' A' ' 15' ' ' THR . 14.7 mm100 -140.83 -167.08 2.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 73.109999999999999 110.292 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.856 ' N ' HG23 ' A' ' 15' ' ' THR . 0.1 OUTLIER -65.62 72.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 65.450000000000003 110.293 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -144.91 91.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 73.349999999999994 109.257 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.566 ' C ' ' H ' ' A' ' 12' ' ' HIS . 1.7 p -112.87 -170.79 1.74 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 73.420000000000002 108.327 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.406 ' C ' ' CG ' ' A' ' 12' ' ' HIS . . . -73.67 36.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 51.229999999999997 109.301 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.652 ' CD2' ' HB2' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -158.01 -58.98 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 74.150000000000006 109.589 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.638 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.1 m 145.8 70.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 72.25 110.031 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.467 ' CG ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER 177.48 -177.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 72.530000000000001 110.972 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.856 HG23 ' N ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -99.56 157.91 16.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 1.155 . . . . 51.130000000000003 110.365 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.422 ' O ' ' HD3' ' A' ' 20' ' ' PRO . 76.7 m-85 -38.53 -31.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 73.400000000000006 110.964 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.459 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 10.0 pt-20 -78.58 -44.06 25.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 54.420000000000002 110.25 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 15' ' ' THR . 3.5 mt-10 -98.68 10.98 39.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 65.430000000000007 110.247 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.804 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 32.6 t -76.09 -35.15 1.58 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 71.439999999999998 108.272 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.804 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.1 Cg_endo -75.07 -1.03 10.71 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.466 1.772 . . . . 65.019999999999996 111.007 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.64 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . 1.5 tmtp? -97.01 -21.5 17.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 75.349999999999994 109.247 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.652 ' HB2' ' CD2' ' A' ' 12' ' ' HIS . 16.9 m -51.4 -43.08 61.85 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 75.140000000000001 108.262 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.17 -44.07 10.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 73.150000000000006 110.017 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.64 ' HB3' ' HA ' ' A' ' 21' ' ' LYS . . . -59.05 -16.13 17.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 32.25 109.35 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.461 ' HA ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -47.65 -24.82 1.0 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 72.310000000000002 109.296 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.407 ' N ' ' C ' ' A' ' 24' ' ' ALA . 6.1 mt-30 51.31 68.83 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 72.540000000000006 110.274 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.546 ' CG ' ' N ' ' A' ' 28' ' ' ARG . 9.7 p90 -137.32 -45.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 64.25 111.016 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.546 ' N ' ' CG ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 38.01 30.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 73.230000000000004 110.289 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' TYR . 5.0 m-20 -89.15 -14.51 35.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 74.25 109.335 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.28 -122.28 7.89 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.477 1.111 . . . . 73.540000000000006 110.973 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 63.88 100.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 72.219999999999999 111.004 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 72.540000000000006 110.978 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 tmm? . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.475 0.179 . . . . 54.299999999999997 111.029 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.62 -91.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 64.239999999999995 109.258 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.11 111.41 5.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 42.310000000000002 110.439 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' A' ' 5' ' ' MET . 36.2 m -82.28 -48.84 10.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 71.519999999999996 110.383 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.457 ' CB ' ' O ' ' A' ' 4' ' ' THR . 0.5 OUTLIER 78.45 -64.33 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 74.200000000000003 111.045 -179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 62.63 35.93 13.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 74.439999999999998 110.319 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -108.63 -43.79 4.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 72.510000000000005 110.302 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.872 ' CB ' HG22 ' A' ' 15' ' ' THR . 5.5 pt-20 -165.67 41.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 74.540000000000006 110.287 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.632 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -145.38 107.26 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 74.040000000000006 109.322 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.503 ' CB ' ' SG ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER -111.24 -170.78 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 62.43 108.285 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.33 -19.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 62.32 109.338 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.649 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -94.26 -64.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 74.109999999999999 109.609 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.592 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 1.6 m 151.27 33.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 75.129999999999995 110.002 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.632 ' O ' ' N ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -140.87 -160.19 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.598 1.186 . . . . 72.25 111.051 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.872 HG22 ' CB ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -97.54 157.18 16.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 75.319999999999993 110.369 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.478 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -46.04 -34.58 4.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.153 . . . . 70.519999999999996 111.046 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.518 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.7 OUTLIER -74.54 -29.41 61.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 73.120000000000005 110.285 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.504 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.4 OUTLIER -93.0 -2.82 55.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 72.530000000000001 110.311 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.678 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -54.48 -42.54 95.02 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 74.310000000000002 108.349 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.678 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.5 Cg_endo -75.02 -10.18 21.07 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.48 1.779 . . . . 71.010000000000005 110.995 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -99.33 -24.57 14.77 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.144 . . . . 72.430000000000007 109.265 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.649 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 84.4 m -48.82 -48.32 41.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 73.209999999999994 108.31 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.47 -43.51 10.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 75.409999999999997 109.994 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 20' ' ' PRO . . . -84.62 50.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 62.439999999999998 109.269 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.83 -14.89 16.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 73.109999999999999 109.245 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 69.2 13.81 8.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 63.409999999999997 110.322 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -110.67 20.61 17.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 64.200000000000003 110.988 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.2 mmm-85 44.14 29.43 0.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 75.140000000000001 110.293 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -82.29 -58.06 3.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.138 . . . . 63.420000000000002 109.332 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.72 6.18 67.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 50.100000000000001 111.006 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -98.56 79.39 2.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 72.019999999999996 110.988 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 45.7 p90 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 65.230000000000004 111.021 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.631 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 8.1 ptt? . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.546 0.212 . . . . 73.150000000000006 110.973 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 1' ' ' MET . . . 78.96 -72.6 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 44.439999999999998 109.236 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.411 HG22 ' OG1' ' A' ' 4' ' ' THR . 16.3 m 55.54 -90.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.102 . . . . 74.329999999999998 110.429 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.411 ' OG1' HG22 ' A' ' 3' ' ' THR . 11.7 p -152.39 -50.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 71.140000000000001 110.339 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.17 175.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.398 1.061 . . . . 71.420000000000002 110.97 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -108.78 93.76 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.175 . . . . 74.329999999999998 110.256 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.533 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -137.95 -50.64 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 74.510000000000005 110.274 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.781 ' N ' HG23 ' A' ' 15' ' ' THR . 0.0 OUTLIER 158.5 76.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 73.099999999999994 110.249 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.879 ' H ' HD12 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -143.95 87.06 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.148 . . . . 74.25 109.255 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.594 ' N ' ' O ' ' A' ' 14' ' ' MET . 4.4 t -114.07 -178.59 3.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 72.299999999999997 108.334 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.42 29.12 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 65.329999999999998 109.364 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.706 ' CG ' ' HB2' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -149.49 -46.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 71.0 109.615 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.677 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 4.7 t 142.99 79.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 71.239999999999995 109.957 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.594 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.4 OUTLIER 153.86 -170.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 61.43 110.972 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.781 HG23 ' N ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -102.74 143.51 32.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 65.140000000000001 110.427 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -41.62 -29.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 63.219999999999999 111.013 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.555 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -84.72 -41.52 16.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 73.540000000000006 110.293 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.638 ' C ' ' CD ' ' A' ' 20' ' ' PRO . 10.6 tp10 -104.36 18.35 22.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 70.340000000000003 110.296 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.995 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 17.8 t -120.7 24.28 0.11 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 73.049999999999997 108.298 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.995 ' HD3' ' N ' ' A' ' 19' ' ' CYS . 18.2 Cg_endo -75.08 -5.03 16.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.436 1.756 . . . . 65.329999999999998 110.951 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.21 -36.88 16.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 72.319999999999993 109.307 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.706 ' HB2' ' CG ' ' A' ' 12' ' ' HIS . 13.1 p -50.47 -32.05 16.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 73.349999999999994 108.313 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.76 -37.51 17.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 34.210000000000001 109.959 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.16 -78.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 32.530000000000001 109.318 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -12.09 54.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 61.399999999999999 109.337 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 47.79 28.19 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 74.409999999999997 110.308 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -131.19 177.84 7.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 64.030000000000001 111.053 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.414 ' C ' ' N ' ' A' ' 30' ' ' GLY . 92.6 mtm-85 -72.54 -6.29 42.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 72.109999999999999 110.243 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.524 ' O ' ' CD2' ' A' ' 31' ' ' PHE . 1.1 m-20 -44.67 -27.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 75.200000000000003 109.276 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 28' ' ' ARG . . . -44.91 96.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.473 1.108 . . . . 61.350000000000001 111.043 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.524 ' CD2' ' O ' ' A' ' 29' ' ' ASN . 0.2 OUTLIER -116.73 -174.16 2.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 0.795 . . . . 75.430000000000007 111.014 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 63.149999999999999 110.973 -179.933 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.866 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.34 -0.615 . . . . 74.239999999999995 109.34 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.694 ' N ' ' O ' ' A' ' 14' ' ' MET . 2.7 t -113.26 -178.71 3.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 62.299999999999997 108.333 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.04 12.91 3.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 74.409999999999997 109.259 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.668 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -130.34 -45.88 1.1 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.541 1.15 . . . . 72.439999999999998 109.608 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.668 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 8.4 p 143.54 45.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.406 1.067 . . . . 74.200000000000003 109.922 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.694 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -156.76 -162.86 1.31 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.088 . . . . 74.409999999999997 110.917 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -102.54 159.36 15.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 74.140000000000001 110.387 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -41.73 -54.29 3.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 73.420000000000002 111.008 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.514 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -64.59 -27.62 69.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 71.25 110.351 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.621 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 3.0 mm-40 -93.31 4.48 53.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 72.239999999999995 110.371 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.798 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 51.9 t -62.2 -35.6 22.06 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 64.430000000000007 108.337 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.798 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.0 Cg_endo -75.06 -5.6 16.96 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.509 1.794 . . . . 73.310000000000002 110.965 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.471 ' CB ' ' OE1' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -98.72 -19.14 17.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 54.210000000000001 109.315 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.645 ' SG ' ' CG ' ' A' ' 12' ' ' HIS . 79.2 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 52.43 108.254 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.564 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.3 pp . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.28 -0.637 . . . . 75.219999999999999 109.28 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.652 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.6 t -111.86 179.28 4.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 74.420000000000002 108.292 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.85 7.5 3.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 63.409999999999997 109.334 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.668 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -126.41 -44.26 1.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 65.209999999999994 109.595 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.668 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 12.0 p 141.82 43.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 72.200000000000003 109.997 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.652 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -150.85 -161.14 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 62.229999999999997 110.923 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -104.03 157.87 16.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 72.329999999999998 110.422 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -41.71 -52.39 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 75.349999999999994 111.025 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -67.51 -27.46 67.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.103 . . . . 65.150000000000006 110.288 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.641 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 1.1 tp10 -93.5 5.75 50.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 72.129999999999995 110.3 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.814 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 52.5 t -64.21 -34.26 11.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.406 1.066 . . . . 61.5 108.269 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.814 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.4 Cg_endo -75.0 -2.08 12.08 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.481 1.779 . . . . 72.239999999999995 111.021 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -99.82 -24.61 14.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 55.420000000000002 109.332 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.655 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 38.5 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 71.230000000000004 108.292 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.546 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.3 pp . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.289 -0.634 . . . . 71.319999999999993 109.289 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.63 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.2 t -110.09 178.76 4.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 64.319999999999993 108.321 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.8 8.24 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 71.140000000000001 109.353 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.671 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -126.7 -46.05 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 72.349999999999994 109.588 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.663 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.5 m 143.12 44.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 72.450000000000003 110.033 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.63 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -153.75 -160.9 1.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 71.219999999999999 110.951 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -102.95 158.15 16.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 53.049999999999997 110.38 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -42.58 -49.98 5.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 75.430000000000007 111.003 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.514 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -67.95 -27.29 66.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 73.409999999999997 110.349 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.627 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 1.7 mp0 -93.27 3.48 55.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 74.040000000000006 110.288 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.795 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 41.9 t -61.78 -35.67 24.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 63.399999999999999 108.33 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.795 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.0 Cg_endo -75.08 -3.15 13.49 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.49 1.784 . . . . 75.329999999999998 110.955 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -99.52 -24.19 14.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 53.409999999999997 109.331 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.671 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 44.0 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 72.25 108.324 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.758 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.308 -0.627 . . . . 74.230000000000004 109.308 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.725 ' N ' ' O ' ' A' ' 14' ' ' MET . 2.0 t -112.49 -179.84 3.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 75.120000000000005 108.317 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.45 10.75 2.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 71.310000000000002 109.272 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.702 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -128.59 -46.15 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 75.120000000000005 109.591 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.2 m 144.97 42.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 73.439999999999998 109.951 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.725 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -151.95 -159.55 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 64.430000000000007 110.959 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -103.18 158.23 16.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 73.230000000000004 110.404 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -41.32 -60.64 1.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 75.430000000000007 110.96 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -59.42 -24.29 63.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 74.040000000000006 110.315 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.689 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -93.02 2.23 56.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.627 1.204 . . . . 74.409999999999997 110.288 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.808 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 28.7 t -60.96 -34.44 18.08 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 63.039999999999999 108.26 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.808 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.5 Cg_endo -74.9 -3.76 14.4 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.531 1.806 . . . . 75.140000000000001 111.036 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.47 -30.78 13.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 74.019999999999996 109.342 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.702 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 5.7 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 54.420000000000002 108.299 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.524 ' CA ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.318 -0.623 . . . . 74.530000000000001 109.318 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.659 ' N ' ' O ' ' A' ' 14' ' ' MET . 1.8 t -109.42 179.89 4.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 71.140000000000001 108.259 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.41 6.03 7.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 73.329999999999998 109.297 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.655 ' CB ' ' HB3' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -118.55 -50.09 2.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 71.430000000000007 109.618 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.641 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 2.5 m 147.44 43.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 70.109999999999999 109.982 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.659 ' O ' ' N ' ' A' ' 10' ' ' CYS . 1.1 ttm -152.46 -151.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 72.400000000000006 110.948 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 18' ' ' GLU . 2.6 p -107.77 157.64 17.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 72.25 110.365 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -42.71 -58.3 2.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 74.319999999999993 110.985 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.535 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -59.46 -24.0 63.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.087 . . . . 74.140000000000001 110.311 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.561 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -92.33 0.17 57.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 72.230000000000004 110.308 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.732 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 28.4 t -57.1 -39.89 81.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 72.099999999999994 108.228 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.732 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.2 Cg_endo -75.02 -4.82 15.96 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.424 1.75 . . . . 64.540000000000006 110.989 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -99.76 -26.21 14.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 62.329999999999998 109.374 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.655 ' HB3' ' CB ' ' A' ' 12' ' ' HIS . 14.4 m . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 62.049999999999997 108.29 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.291 -0.633 . . . . 74.409999999999997 109.291 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.668 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.7 t -113.75 -179.74 3.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 62.240000000000002 108.299 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.78 12.48 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.177 . . . . 51.299999999999997 109.291 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.667 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -130.63 -46.84 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 74.430000000000007 109.593 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.667 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 7.2 p 144.41 48.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.42 1.075 . . . . 70.420000000000002 109.944 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.668 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -158.6 -165.46 1.67 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.445 1.091 . . . . 75.439999999999998 110.981 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -102.77 159.51 15.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 64.450000000000003 110.409 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -42.09 -47.32 4.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 74.439999999999998 110.985 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.508 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -70.92 -30.14 66.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 74.329999999999998 110.3 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.673 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -93.8 8.34 41.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 71.109999999999999 110.285 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.844 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 42.1 t -68.19 -31.51 3.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 72.140000000000001 108.322 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.844 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.2 Cg_endo -75.06 0.78 8.52 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.531 1.806 . . . . 54.450000000000003 110.976 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.33 -26.41 13.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 64.400000000000006 109.356 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.632 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 15.3 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 74.299999999999997 108.325 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.542 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.3 pp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.29 -0.633 . . . . 72.150000000000006 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.624 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.1 t -110.32 178.73 4.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 73.510000000000005 108.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.5 7.72 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 75.400000000000006 109.234 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.676 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -126.31 -46.06 1.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 75.040000000000006 109.641 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.664 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.4 m 143.37 44.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 72.549999999999997 109.967 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.624 ' O ' ' N ' ' A' ' 10' ' ' CYS . 3.0 ttm -153.64 -159.57 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 74.400000000000006 110.988 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.489 ' CB ' ' HG2' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -103.38 157.26 17.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 74.230000000000004 110.381 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.06 -49.23 6.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 73.239999999999995 110.972 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.501 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.3 OUTLIER -67.13 -28.54 68.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 60.030000000000001 110.31 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.627 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -93.5 4.0 54.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 74.409999999999997 110.321 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.789 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 42.2 t -60.84 -36.24 32.88 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.467 1.104 . . . . 71.530000000000001 108.31 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.789 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.4 Cg_endo -75.03 -4.06 14.84 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.538 1.809 . . . . 70.549999999999997 111.016 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -98.8 -23.85 15.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 64.540000000000006 109.247 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.676 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 55.7 m . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.496 1.123 . . . . 71.200000000000003 108.289 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.874 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.326 -0.62 . . . . 71.299999999999997 109.326 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.645 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.1 t -110.27 178.68 4.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 51.009999999999998 108.317 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.25 7.15 2.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 32.200000000000003 109.346 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.687 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -124.4 -46.46 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 65.329999999999998 109.597 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.664 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 8.6 p 143.72 43.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 53.32 109.984 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.645 ' O ' ' N ' ' A' ' 10' ' ' CYS . 1.1 ttt -151.57 -155.26 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 72.340000000000003 111.009 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 18' ' ' GLU . 6.4 p -104.69 156.95 17.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 71.129999999999995 110.451 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -43.7 -48.56 7.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 72.299999999999997 110.974 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.536 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -67.92 -26.14 65.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.169 . . . . 74.310000000000002 110.311 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.593 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.3 OUTLIER -92.17 1.15 57.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 65.219999999999999 110.288 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.748 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 34.8 t -57.35 -38.86 72.55 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 70.319999999999993 108.315 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.748 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.2 Cg_endo -74.97 -5.35 16.69 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.45 1.763 . . . . 74.510000000000005 110.967 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.38 -23.66 15.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 70.420000000000002 109.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.687 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 58.8 m . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 65.209999999999994 108.357 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.744 ' N ' HD12 ' A' ' 9' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.3 -0.63 . . . . 62.109999999999999 109.3 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.678 ' N ' ' O ' ' A' ' 14' ' ' MET . 4.0 t -113.56 179.69 3.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 64.209999999999994 108.28 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.42 9.49 3.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 64.409999999999997 109.302 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.674 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -127.86 -46.48 1.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 72.340000000000003 109.609 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.674 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.4 m 143.91 46.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 72.409999999999997 109.986 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.678 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.8 OUTLIER -154.98 -167.45 2.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 60.439999999999998 110.997 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -102.56 158.76 16.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 70.140000000000001 110.477 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -42.31 -39.17 2.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.086 . . . . 74.409999999999997 110.984 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.545 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -77.16 -32.01 55.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 52.420000000000002 110.296 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.662 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.3 OUTLIER -94.05 8.08 42.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 71.430000000000007 110.296 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.838 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 43.4 t -67.17 -32.28 4.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 72.239999999999995 108.325 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.838 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.3 Cg_endo -75.09 1.11 8.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.445 1.76 . . . . 73.340000000000003 110.958 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.64 -26.58 13.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 74.540000000000006 109.265 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.644 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 16.2 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 65.519999999999996 108.275 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.751 ' N ' HD12 ' A' ' 9' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.232 -0.655 . . . . 73.430000000000007 109.232 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.657 ' N ' ' O ' ' A' ' 14' ' ' MET . 4.1 t -113.83 -179.68 3.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 64.519999999999996 108.315 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.71 9.95 3.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 73.549999999999997 109.266 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.68 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -129.71 -45.38 1.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 74.349999999999994 109.557 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.68 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.5 m 143.14 44.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 72.319999999999993 109.92 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.657 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -151.58 -168.36 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 73.349999999999994 110.959 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.551 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -103.92 159.11 15.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 71.430000000000007 110.452 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -40.9 -42.68 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 73.219999999999999 111.001 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.539 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -77.57 -31.45 53.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 53.530000000000001 110.371 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.679 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -93.7 9.7 35.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.519999999999996 110.326 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.857 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 36.3 t -69.64 -30.55 2.14 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 72.409999999999997 108.34 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.857 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.0 Cg_endo -75.07 1.6 7.6 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.56 1.821 . . . . 65.310000000000002 110.985 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -100.39 -26.06 14.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.107 . . . . 72.200000000000003 109.312 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.631 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 20.0 m . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 70.420000000000002 108.306 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.304 -0.628 . . . . 73.230000000000004 109.304 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.71 ' N ' ' O ' ' A' ' 14' ' ' MET . 1.4 t -111.61 -178.47 3.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 1.121 . . . . 44.43 108.356 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.27 24.24 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 52.520000000000003 109.269 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.685 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -140.53 -47.65 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 61.43 109.624 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.635 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 4.3 p 147.67 43.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 63.43 109.984 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.71 ' O ' ' N ' ' A' ' 10' ' ' CYS . 1.2 ttm -156.56 -154.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 63.32 110.991 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -106.57 158.19 17.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 55.43 110.391 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -42.8 -55.43 3.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 72.5 111.009 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.523 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 1.2 mm-40 -61.14 -25.84 67.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 72.239999999999995 110.364 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.695 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -91.67 2.66 56.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 75.409999999999997 110.267 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.786 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 8.9 t -59.53 -34.84 24.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 71.120000000000005 108.241 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.786 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.4 Cg_endo -75.0 -4.05 14.83 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.587 1.835 . . . . 70.400000000000006 110.989 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -96.6 -31.52 12.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 64.430000000000007 109.215 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.685 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 6.6 m . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.138 . . . . 64.109999999999999 108.332 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.55 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.339 -0.615 . . . . 75.349999999999994 109.339 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.73 ' N ' ' O ' ' A' ' 14' ' ' MET . 1.8 t -112.34 -178.68 3.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 73.25 108.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.15 15.05 2.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 74.030000000000001 109.324 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.704 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -132.51 -46.94 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 65.310000000000002 109.596 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.64 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.4 t 146.95 41.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 71.219999999999999 109.994 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.73 ' O ' ' N ' ' A' ' 10' ' ' CYS . 1.7 mtp -151.9 -157.52 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 71.329999999999998 111.05 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -105.21 159.0 16.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 74.349999999999994 110.365 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -41.7 -58.2 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 74.120000000000005 111.009 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.519 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -61.39 -24.65 66.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 71.140000000000001 110.277 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.679 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.3 OUTLIER -92.25 1.73 57.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 71.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.794 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 14.7 t -59.49 -35.38 29.71 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 75.099999999999994 108.345 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.794 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.2 Cg_endo -75.03 -2.78 12.98 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.799 . . . . 73.129999999999995 110.995 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.72 -31.14 13.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 71.109999999999999 109.293 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.704 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 7.8 m . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 45.200000000000003 108.275 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.331 -0.618 . . . . 70.430000000000007 109.331 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.681 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.2 t -110.94 -179.61 3.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 70.439999999999998 108.246 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.55 12.29 3.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 70.219999999999999 109.306 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.637 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -130.42 -47.92 1.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 72.540000000000006 109.588 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.637 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 2.9 m 146.53 45.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 63.229999999999997 110.03 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.681 ' O ' ' N ' ' A' ' 10' ' ' CYS . 2.1 mtm -156.31 -161.73 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 73.030000000000001 110.996 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.513 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -105.78 160.29 15.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 72.099999999999994 110.378 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 1.4 t80 -41.06 -55.5 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 64.019999999999996 111.06 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.502 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -65.53 -28.03 68.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 71.099999999999994 110.291 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.67 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 4.0 mt-10 -93.82 8.07 42.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 64.150000000000006 110.33 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.844 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 52.9 t -68.26 -31.58 3.3 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 54.210000000000001 108.344 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.844 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.1 Cg_endo -75.08 0.34 9.06 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.446 1.761 . . . . 64.450000000000003 110.974 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -99.55 -27.11 13.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 74.230000000000004 109.299 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.636 ' HB3' ' CB ' ' A' ' 12' ' ' HIS . 14.3 m . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 55.350000000000001 108.3 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.584 ' C ' ' O ' ' A' ' 14' ' ' MET . 6.4 mm . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.325 -0.62 . . . . 55.32 109.325 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.728 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.5 OUTLIER -109.64 173.71 6.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 64.519999999999996 108.34 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.31 20.4 4.47 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.558 1.161 . . . . 70.140000000000001 109.245 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.654 ' CD2' ' N ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -139.44 -43.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 74.430000000000007 109.579 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.8 m -135.52 -95.76 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 75.219999999999999 110.001 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.728 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -146.99 -80.47 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 72.310000000000002 110.998 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.594 ' O ' ' N ' ' A' ' 19' ' ' CYS . 1.9 p -108.02 177.64 4.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 73.219999999999999 110.496 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -67.04 -27.18 67.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 64.239999999999995 111.01 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.549 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -77.95 -28.57 49.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 74.040000000000006 110.332 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.647 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 3.7 mt-10 -108.68 -2.97 18.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 73.239999999999995 110.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.973 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 4.4 t -124.73 28.8 0.17 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 53.109999999999999 108.282 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.973 ' HD3' ' N ' ' A' ' 19' ' ' CYS . 18.5 Cg_endo -74.96 -27.43 10.1 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.502 1.791 . . . . 63.409999999999997 111.016 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -39.48 69.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 72.439999999999998 109.289 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.632 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 71.299999999999997 108.27 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.586 ' C ' ' O ' ' A' ' 14' ' ' MET . 7.6 mm . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.285 -0.635 . . . . 73.430000000000007 109.285 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.729 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.5 OUTLIER -109.77 173.53 6.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 63.119999999999997 108.306 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.21 20.42 4.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 43.049999999999997 109.297 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.655 ' CD2' ' N ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -139.49 -43.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 74.310000000000002 109.613 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.5 m -135.5 -95.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 52.109999999999999 110.004 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.729 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -147.33 -80.32 0.15 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.424 1.077 . . . . 70.120000000000005 110.989 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.592 ' O ' ' N ' ' A' ' 19' ' ' CYS . 2.2 p -108.24 177.56 4.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 63.450000000000003 110.397 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -67.01 -27.07 67.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 64.230000000000004 111.007 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.55 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -78.04 -28.57 49.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 65.230000000000004 110.294 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.648 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 26.7 mt-10 -108.73 -2.93 18.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 75.310000000000002 110.33 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.978 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 4.3 t -124.63 28.67 0.16 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 70.019999999999996 108.316 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.978 ' HD3' ' N ' ' A' ' 19' ' ' CYS . 18.3 Cg_endo -74.94 -26.99 10.53 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.431 1.753 . . . . 44.43 110.991 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.31 -39.49 68.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 73.129999999999995 109.315 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.631 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 70.420000000000002 108.276 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.537 ' C ' ' O ' ' A' ' 14' ' ' MET . 6.3 mm . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.286 -0.635 . . . . 72.340000000000003 109.286 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.765 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.3 OUTLIER -110.53 172.05 7.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 51.539999999999999 108.279 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.55 17.68 5.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 63.340000000000003 109.322 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.651 ' CE1' ' SG ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -134.54 -42.35 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 73.510000000000005 109.566 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.7 m -140.02 -94.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 64.439999999999998 109.965 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.765 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -145.57 -86.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 60.520000000000003 111.014 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.589 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER -108.21 156.32 19.47 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.532 1.145 . . . . 60.219999999999999 110.423 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.455 ' O ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -46.57 -39.1 10.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.182 . . . . 73.230000000000004 110.943 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -57.02 -35.92 69.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 74.0 110.225 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.642 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 2.3 tt0 -110.5 1.3 18.14 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 54.130000000000003 110.31 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.996 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 2.4 t -122.28 26.53 0.12 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 72.209999999999994 108.384 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.996 ' HD3' ' N ' ' A' ' 19' ' ' CYS . 18.5 Cg_endo -74.89 -25.08 12.44 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.536 1.808 . . . . 74.099999999999994 111.061 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.58 -38.13 55.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 63.310000000000002 109.332 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.651 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 73.439999999999998 108.327 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.6 ' C ' ' O ' ' A' ' 14' ' ' MET . 6.1 mm . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.277 -0.638 . . . . 75.140000000000001 109.277 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.729 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.5 OUTLIER -109.69 173.47 6.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.412 1.07 . . . . 74.319999999999993 108.273 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.12 21.07 3.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 73.040000000000006 109.316 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.655 ' CD2' ' N ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -140.71 -43.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 75.329999999999998 109.606 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 m -135.65 -95.99 0.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 61.530000000000001 109.946 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.729 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -146.53 -79.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 74.340000000000003 111.001 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.589 ' O ' ' N ' ' A' ' 19' ' ' CYS . 3.0 p -108.17 173.56 6.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 44.039999999999999 110.473 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -66.8 -25.97 66.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 75.049999999999997 111.019 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.542 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -76.78 -30.18 56.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 75.239999999999995 110.294 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.641 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -109.5 -1.61 18.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 73.150000000000006 110.308 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.985 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 5.3 t -124.01 28.24 0.15 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 74.519999999999996 108.274 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.985 ' HD3' ' N ' ' A' ' 19' ' ' CYS . 18.3 Cg_endo -74.98 -27.71 9.82 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.797 . . . . 71.120000000000005 110.965 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -38.28 73.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 71.239999999999995 109.255 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.626 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 73.030000000000001 108.294 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.257 -0.646 . . . . 73.349999999999994 109.257 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.566 ' C ' ' H ' ' A' ' 12' ' ' HIS . 1.7 p -112.87 -170.79 1.74 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 73.420000000000002 108.327 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.586 ' C ' ' CD2' ' A' ' 12' ' ' HIS . . . -73.67 36.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 51.229999999999997 109.301 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.686 ' CD2' ' N ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -158.01 -58.98 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 74.150000000000006 109.589 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.638 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.1 m 145.8 70.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 72.25 110.031 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.467 ' CG ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER 177.48 -177.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 72.530000000000001 110.972 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.689 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -99.56 157.91 16.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 1.155 . . . . 51.130000000000003 110.365 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.422 ' O ' ' HD3' ' A' ' 20' ' ' PRO . 76.7 m-85 -38.53 -31.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 73.400000000000006 110.964 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.459 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 10.0 pt-20 -78.58 -44.06 25.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 54.420000000000002 110.25 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 15' ' ' THR . 3.5 mt-10 -98.68 10.98 39.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 65.430000000000007 110.247 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.804 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 32.6 t -76.09 -35.15 1.58 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 71.439999999999998 108.272 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.804 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.1 Cg_endo -75.07 -1.03 10.71 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.466 1.772 . . . . 65.019999999999996 111.007 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -97.01 -21.5 17.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 75.349999999999994 109.247 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.535 ' HB3' ' CB ' ' A' ' 12' ' ' HIS . 16.9 m . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 75.140000000000001 108.262 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.632 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.322 -0.621 . . . . 74.040000000000006 109.322 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.536 ' CB ' ' HG ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER -111.24 -170.78 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 62.43 108.285 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.33 -19.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 62.32 109.338 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.649 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -94.26 -64.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 74.109999999999999 109.609 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.592 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 1.6 m 151.27 33.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 75.129999999999995 110.002 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.632 ' O ' ' N ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -140.87 -160.19 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.598 1.186 . . . . 72.25 111.051 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.541 HG23 ' SD ' ' A' ' 14' ' ' MET . 0.1 OUTLIER -97.54 157.18 16.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 75.319999999999993 110.369 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.478 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -46.04 -34.58 4.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.153 . . . . 70.519999999999996 111.046 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.518 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.7 OUTLIER -74.54 -29.41 61.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 73.120000000000005 110.285 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.504 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.4 OUTLIER -93.0 -2.82 55.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 72.530000000000001 110.311 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.678 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -54.48 -42.54 95.02 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 74.310000000000002 108.349 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.678 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.5 Cg_endo -75.02 -10.18 21.07 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.48 1.779 . . . . 71.010000000000005 110.995 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -99.33 -24.57 14.77 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.144 . . . . 72.430000000000007 109.265 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.649 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 84.4 m . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 73.209999999999994 108.31 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.784 ' N ' HD12 ' A' ' 9' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.255 -0.646 . . . . 74.25 109.255 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.594 ' N ' ' O ' ' A' ' 14' ' ' MET . 4.4 t -114.07 -178.59 3.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 72.299999999999997 108.334 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.415 ' C ' ' CD2' ' A' ' 12' ' ' HIS . . . -83.42 29.12 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 65.329999999999998 109.364 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.706 ' CG ' ' HB2' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -149.49 -46.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 71.0 109.615 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.677 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 4.7 t 142.99 79.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 71.239999999999995 109.957 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.594 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.4 OUTLIER 153.86 -170.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 61.43 110.972 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.763 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -102.74 143.51 32.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 65.140000000000001 110.427 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -41.62 -29.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 63.219999999999999 111.013 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.555 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -84.72 -41.52 16.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 73.540000000000006 110.293 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.638 ' C ' ' CD ' ' A' ' 20' ' ' PRO . 10.6 tp10 -104.36 18.35 22.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 70.340000000000003 110.296 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.995 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 17.8 t -120.7 24.28 0.11 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 73.049999999999997 108.298 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.995 ' HD3' ' N ' ' A' ' 19' ' ' CYS . 18.2 Cg_endo -75.08 -5.03 16.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.436 1.756 . . . . 65.329999999999998 110.951 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.21 -36.88 16.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 72.319999999999993 109.307 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.706 ' HB2' ' CG ' ' A' ' 12' ' ' HIS . 13.1 p . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 73.349999999999994 108.313 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.419 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.513 0.197 . . . . 43.049999999999997 111.063 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.425 ' C ' HG22 ' A' ' 3' ' ' THR . . . 62.99 31.88 15.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 73.109999999999999 109.27 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.733 ' O ' HG23 ' A' ' 4' ' ' THR . 1.2 t 39.99 77.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 61.219999999999999 110.374 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.733 HG23 ' O ' ' A' ' 3' ' ' THR . 0.5 OUTLIER -163.23 124.64 2.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 65.140000000000001 110.41 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.8 mtt -154.59 -47.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 72.140000000000001 110.987 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 71.4 91.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 71.340000000000003 110.249 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.846 ' HG3' HD12 ' A' ' 9' ' ' ILE . 9.0 pt20 170.39 40.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 70.150000000000006 110.249 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.78 ' HA ' HG23 ' A' ' 15' ' ' THR . 3.4 mt-10 52.33 86.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 74.519999999999996 110.276 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.866 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -135.36 89.13 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 74.239999999999995 109.34 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.694 ' N ' ' O ' ' A' ' 14' ' ' MET . 2.7 t -113.26 -178.71 3.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 62.299999999999997 108.333 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.04 12.91 3.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 74.409999999999997 109.259 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.668 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -130.34 -45.88 1.1 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.541 1.15 . . . . 72.439999999999998 109.608 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.668 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 8.4 p 143.54 45.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.406 1.067 . . . . 74.200000000000003 109.922 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.694 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -156.76 -162.86 1.31 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.088 . . . . 74.409999999999997 110.917 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.78 HG23 ' HA ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -102.54 159.36 15.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 74.140000000000001 110.387 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -41.73 -54.29 3.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 73.420000000000002 111.008 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.514 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -64.59 -27.62 69.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 71.25 110.351 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.621 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 3.0 mm-40 -93.31 4.48 53.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 72.239999999999995 110.371 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.798 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 51.9 t -62.2 -35.6 22.06 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 64.430000000000007 108.337 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.798 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.0 Cg_endo -75.06 -5.6 16.96 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.509 1.794 . . . . 73.310000000000002 110.965 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.471 ' CB ' ' OE1' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -98.72 -19.14 17.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 54.210000000000001 109.315 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.627 ' HB3' ' CB ' ' A' ' 12' ' ' HIS . 79.2 m -51.27 -46.52 62.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 52.43 108.254 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.77 -44.11 10.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 64.430000000000007 109.97 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.414 ' O ' ' CD ' ' A' ' 21' ' ' LYS . . . -78.42 60.24 2.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 51.5 109.368 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.11 12.58 33.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 70.219999999999999 109.329 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 49.74 26.08 1.74 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.133 . . . . 72.310000000000002 110.347 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -138.16 -168.87 2.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.402 1.064 . . . . 73.439999999999998 111.066 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -4.12 33.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 64.120000000000005 110.281 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.54 -50.32 74.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 65.519999999999996 109.245 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.4 173.21 40.34 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.517 1.135 . . . . 74.400000000000006 111.024 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -123.93 -42.05 2.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 0.744 . . . . 74.329999999999998 110.959 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 73.329999999999998 111.041 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.0 mmm . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.471 0.176 . . . . 63.299999999999997 110.973 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.7 89.69 3.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 73.239999999999995 109.344 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.1 m -144.4 74.11 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 75.109999999999999 110.412 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -155.45 133.69 11.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 61.409999999999997 110.405 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.66 -33.32 11.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 74.340000000000003 110.967 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 45.37 77.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.615 1.197 . . . . 74.340000000000003 110.32 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 10.1 mt-30 -131.71 8.97 4.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 74.120000000000005 110.314 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.797 ' HA ' HG23 ' A' ' 15' ' ' THR . 1.2 mt-10 85.14 72.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 63.210000000000001 110.277 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.564 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.3 pp -137.86 90.37 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 75.219999999999999 109.28 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.652 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.6 t -111.86 179.28 4.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 74.420000000000002 108.292 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.85 7.5 3.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 63.409999999999997 109.334 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.668 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -126.41 -44.26 1.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 65.209999999999994 109.595 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.668 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 12.0 p 141.82 43.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 72.200000000000003 109.997 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.652 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -150.85 -161.14 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 62.229999999999997 110.923 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.797 HG23 ' HA ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -104.03 157.87 16.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 72.329999999999998 110.422 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -41.71 -52.39 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 75.349999999999994 111.025 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -67.51 -27.46 67.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.103 . . . . 65.150000000000006 110.288 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.641 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 1.1 tp10 -93.5 5.75 50.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 72.129999999999995 110.3 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.814 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 52.5 t -64.21 -34.26 11.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.406 1.066 . . . . 61.5 108.269 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.814 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.4 Cg_endo -75.0 -2.08 12.08 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.481 1.779 . . . . 72.239999999999995 111.021 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.603 ' O ' HD12 ' A' ' 25' ' ' LEU . 21.1 mmtt -99.82 -24.61 14.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 55.420000000000002 109.332 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.655 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 38.5 m -49.65 -51.36 38.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 71.230000000000004 108.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.01 -43.01 11.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 72.310000000000002 109.937 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 20' ' ' PRO . . . -101.98 63.62 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 74.420000000000002 109.336 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.603 HD12 ' O ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -78.87 -0.48 30.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 62.399999999999999 109.256 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.55 27.42 2.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 73.230000000000004 110.233 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -112.54 16.7 19.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 74.209999999999994 110.955 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 48.88 30.01 2.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 73.230000000000004 110.344 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -79.29 -24.17 43.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 64.129999999999995 109.272 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 126.72 156.28 9.15 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.483 1.114 . . . . 73.400000000000006 111.01 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -176.95 -172.04 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 0.784 . . . . 70.450000000000003 111.011 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 33.5 t80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 72.209999999999994 111.013 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 ttt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.53 0.205 . . . . 74.450000000000003 111.03 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 60.75 112.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 24.43 109.333 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.663 HG22 ' H ' ' A' ' 5' ' ' MET . 18.0 m -151.72 -87.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 42.009999999999998 110.392 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.7 34.95 17.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 72.209999999999994 110.326 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.663 ' H ' HG22 ' A' ' 3' ' ' THR . 1.2 mmt -112.7 -34.96 5.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.423 1.077 . . . . 75.439999999999998 110.917 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.447 ' CB ' ' O ' ' A' ' 5' ' ' MET . 0.7 OUTLIER 83.41 91.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 63.240000000000002 110.339 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.432 ' O ' HG13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -163.28 -164.75 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.591 1.182 . . . . 54.509999999999998 110.229 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.935 ' HA ' HG23 ' A' ' 15' ' ' THR . 3.3 pt-20 -65.13 79.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 72.120000000000005 110.33 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.546 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.3 pp -142.21 91.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 71.319999999999993 109.289 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.63 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.2 t -110.09 178.76 4.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 64.319999999999993 108.321 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.8 8.24 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 71.140000000000001 109.353 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.671 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -126.7 -46.05 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 72.349999999999994 109.588 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.663 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.5 m 143.12 44.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 72.450000000000003 110.033 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.63 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -153.75 -160.9 1.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 71.219999999999999 110.951 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.935 HG23 ' HA ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -102.95 158.15 16.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 53.049999999999997 110.38 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -42.58 -49.98 5.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 75.430000000000007 111.003 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.514 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -67.95 -27.29 66.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 73.409999999999997 110.349 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.627 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 1.7 mp0 -93.27 3.48 55.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 74.040000000000006 110.288 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.795 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 41.9 t -61.78 -35.67 24.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 63.399999999999999 108.33 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.795 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.0 Cg_endo -75.08 -3.15 13.49 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.49 1.784 . . . . 75.329999999999998 110.955 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.493 ' O ' HD12 ' A' ' 25' ' ' LEU . 6.5 mmtm -99.52 -24.19 14.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 53.409999999999997 109.331 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.671 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 44.0 m -49.76 -49.39 48.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 72.25 108.324 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.05 -43.29 11.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 73.310000000000002 109.974 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 20' ' ' PRO . . . -86.93 49.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 70.530000000000001 109.291 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -88.58 -12.8 41.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 74.209999999999994 109.285 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 70.33 12.56 7.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 65.450000000000003 110.323 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -111.4 166.74 10.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 75.310000000000002 111.009 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.5 ttt85 -51.5 -22.14 2.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 73.319999999999993 110.323 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -46.09 -61.26 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 72.140000000000001 109.285 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.03 150.18 26.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.444 1.09 . . . . 73.040000000000006 111.029 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -86.58 -38.35 17.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 75.230000000000004 111.004 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.534 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 18.7 t80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 74.049999999999997 111.021 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.505 0.193 . . . . 61.32 110.968 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.5 179.0 2.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 44.409999999999997 109.215 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.99 87.25 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 70.129999999999995 110.351 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -168.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 65.109999999999999 110.417 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.5 mtt -105.58 169.33 8.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 74.310000000000002 111.012 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -121.51 113.28 19.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 70.549999999999997 110.265 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.479 ' C ' ' CG ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -172.3 -51.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 73.310000000000002 110.335 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.787 ' HA ' HG23 ' A' ' 15' ' ' THR . 0.0 OUTLIER 178.47 85.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 63.340000000000003 110.303 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.758 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -129.18 89.54 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 74.230000000000004 109.308 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.725 ' N ' ' O ' ' A' ' 14' ' ' MET . 2.0 t -112.49 -179.84 3.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 75.120000000000005 108.317 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.45 10.75 2.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 71.310000000000002 109.272 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.702 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -128.59 -46.15 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 75.120000000000005 109.591 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.2 m 144.97 42.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 73.439999999999998 109.951 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.725 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -151.95 -159.55 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 64.430000000000007 110.959 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.787 HG23 ' HA ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -103.18 158.23 16.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 73.230000000000004 110.404 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -41.32 -60.64 1.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 75.430000000000007 110.96 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -59.42 -24.29 63.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 74.040000000000006 110.315 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.689 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -93.02 2.23 56.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.627 1.204 . . . . 74.409999999999997 110.288 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.808 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 28.7 t -60.96 -34.44 18.08 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 63.039999999999999 108.26 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.808 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.5 Cg_endo -74.9 -3.76 14.4 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.531 1.806 . . . . 75.140000000000001 111.036 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.578 ' O ' HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -95.47 -30.78 13.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 74.019999999999996 109.342 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.702 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 5.7 m -52.76 -31.08 36.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 54.420000000000002 108.299 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.7 -45.0 10.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.107 . . . . 65.349999999999994 110.02 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.33 65.32 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 64.120000000000005 109.302 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.578 HD22 ' O ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -71.69 -18.93 62.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 70.310000000000002 109.32 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 65.1 12.06 7.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 72.540000000000006 110.329 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -121.89 174.69 6.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 72.430000000000007 111.012 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -10.17 43.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.401 1.063 . . . . 73.530000000000001 110.336 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.32 -46.47 62.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 64.409999999999997 109.294 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 32' ' ' TYR . . . -81.65 -146.87 5.63 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.499 1.124 . . . . 65.200000000000003 110.986 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 57.12 -86.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 64.019999999999996 110.992 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.431 ' N ' ' O ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 71.409999999999997 111.04 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.48 0.181 . . . . 71.310000000000002 110.99 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -42.68 -53.28 4.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 73.319999999999993 109.323 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.17 -176.13 4.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 73.450000000000003 110.403 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.82 178.74 7.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 75.209999999999994 110.434 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 9.2 mtt -37.89 -57.24 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 60.539999999999999 111.0 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.72 76.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 74.439999999999998 110.315 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.19 -82.3 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 71.349999999999994 110.346 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.734 ' HA ' HG22 ' A' ' 15' ' ' THR . 8.6 mt-10 -138.12 59.66 1.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 73.239999999999995 110.259 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.524 ' CA ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -147.1 108.14 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 74.530000000000001 109.318 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.659 ' N ' ' O ' ' A' ' 14' ' ' MET . 1.8 t -109.42 179.89 4.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 71.140000000000001 108.259 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.41 6.03 7.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 73.329999999999998 109.297 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.655 ' CB ' ' HB3' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -118.55 -50.09 2.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 71.430000000000007 109.618 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.641 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 2.5 m 147.44 43.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 70.109999999999999 109.982 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.659 ' O ' ' N ' ' A' ' 10' ' ' CYS . 1.1 ttm -152.46 -151.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 72.400000000000006 110.948 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.734 HG22 ' HA ' ' A' ' 8' ' ' GLU . 2.6 p -107.77 157.64 17.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 72.25 110.365 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -42.71 -58.3 2.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 74.319999999999993 110.985 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.535 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -59.46 -24.0 63.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.087 . . . . 74.140000000000001 110.311 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.561 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -92.33 0.17 57.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 72.230000000000004 110.308 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.732 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 28.4 t -57.1 -39.89 81.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 72.099999999999994 108.228 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.732 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.2 Cg_endo -75.02 -4.82 15.96 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.424 1.75 . . . . 64.540000000000006 110.989 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -99.76 -26.21 14.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 62.329999999999998 109.374 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.655 ' HB3' ' CB ' ' A' ' 12' ' ' HIS . 14.4 m -50.25 -47.57 55.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 62.049999999999997 108.29 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.16 -43.5 10.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 74.420000000000002 110.009 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 20' ' ' PRO . . . -80.97 54.46 2.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 53.32 109.34 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.63 -4.22 55.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 71.319999999999993 109.331 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 55.72 21.01 4.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 71.430000000000007 110.291 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -107.02 -178.46 3.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 73.319999999999993 110.932 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.8 -6.48 45.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 73.420000000000002 110.283 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -43.76 -59.52 2.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 71.450000000000003 109.271 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 53.55 -168.18 1.32 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.11 . . . . 43.32 111.044 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -169.1 89.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 62.310000000000002 111.015 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.414 0 O-C-N 124.462 1.101 . . . . 73.439999999999998 111.034 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.516 0.198 . . . . 75.439999999999998 110.986 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.33 -71.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 75.450000000000003 109.308 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.621 HG22 ' H ' ' A' ' 4' ' ' THR . 2.7 m 40.83 -158.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.445 1.091 . . . . 63.439999999999998 110.349 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.621 ' H ' HG22 ' A' ' 3' ' ' THR . 12.9 t -147.66 43.77 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 70.010000000000005 110.438 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 21.2 mtt -113.73 178.56 4.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 73.140000000000001 110.981 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.43 82.48 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.588 1.18 . . . . 64.239999999999995 110.303 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 13.9 mt-30 -128.29 -50.22 1.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 65.140000000000001 110.22 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.749 ' N ' HG23 ' A' ' 15' ' ' THR . 0.0 OUTLIER 158.62 74.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.425 1.078 . . . . 65.230000000000004 110.27 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -135.26 88.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.575 1.172 . . . . 74.409999999999997 109.291 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.668 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.7 t -113.75 -179.74 3.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 62.240000000000002 108.299 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.78 12.48 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.177 . . . . 51.299999999999997 109.291 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.667 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -130.63 -46.84 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 74.430000000000007 109.593 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.667 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 7.2 p 144.41 48.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.42 1.075 . . . . 70.420000000000002 109.944 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.668 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -158.6 -165.46 1.67 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.445 1.091 . . . . 75.439999999999998 110.981 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.749 HG23 ' N ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -102.77 159.51 15.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 64.450000000000003 110.409 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -42.09 -47.32 4.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 74.439999999999998 110.985 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.508 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -70.92 -30.14 66.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 74.329999999999998 110.3 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.673 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -93.8 8.34 41.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 71.109999999999999 110.285 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.844 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 42.1 t -68.19 -31.51 3.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 72.140000000000001 108.322 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.844 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.2 Cg_endo -75.06 0.78 8.52 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.531 1.806 . . . . 54.450000000000003 110.976 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.33 -26.41 13.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 64.400000000000006 109.356 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.632 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 15.3 m -49.78 -49.31 48.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 74.299999999999997 108.325 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.33 -43.08 11.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 75.310000000000002 109.982 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.754 ' HB3' ' O ' ' A' ' 20' ' ' PRO . . . -75.85 68.29 2.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.175 . . . . 64.049999999999997 109.272 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.97 14.67 3.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 54.130000000000003 109.292 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 40.58 30.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 71.5 110.362 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.7 m-30 -114.05 172.5 6.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 72.209999999999994 110.982 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -6.04 43.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 64.140000000000001 110.257 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -44.34 -73.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 73.109999999999999 109.299 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 55.06 169.64 0.06 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.586 1.179 . . . . 73.510000000000005 111.029 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.14 126.06 43.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 0.805 . . . . 74.439999999999998 110.966 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 63.229999999999997 110.974 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ttt . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.419 0.152 . . . . 74.040000000000006 110.983 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.13 64.52 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 72.430000000000007 109.301 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 85.2 m -92.47 142.49 27.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 64.219999999999999 110.386 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.94 155.4 38.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 64.200000000000003 110.4 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -111.42 162.6 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 53.200000000000003 110.96 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -111.5 80.74 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 61.229999999999997 110.342 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.427 ' O ' HG13 ' A' ' 9' ' ' ILE . 13.5 pt20 -174.21 -159.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 73.129999999999995 110.323 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.934 ' HA ' HG23 ' A' ' 15' ' ' THR . 1.9 mt-10 -64.87 79.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 70.230000000000004 110.339 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.542 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.3 pp -142.37 91.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 72.150000000000006 109.29 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.624 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.1 t -110.32 178.73 4.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 73.510000000000005 108.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.5 7.72 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 75.400000000000006 109.234 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.676 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -126.31 -46.06 1.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 75.040000000000006 109.641 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.664 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.4 m 143.37 44.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 72.549999999999997 109.967 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.624 ' O ' ' N ' ' A' ' 10' ' ' CYS . 3.0 ttm -153.64 -159.57 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 74.400000000000006 110.988 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.934 HG23 ' HA ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -103.38 157.26 17.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 74.230000000000004 110.381 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.06 -49.23 6.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 73.239999999999995 110.972 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.501 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.3 OUTLIER -67.13 -28.54 68.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 60.030000000000001 110.31 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.627 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -93.5 4.0 54.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 74.409999999999997 110.321 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.789 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 42.2 t -60.84 -36.24 32.88 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.467 1.104 . . . . 71.530000000000001 108.31 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.789 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.4 Cg_endo -75.03 -4.06 14.84 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.538 1.809 . . . . 70.549999999999997 111.016 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.645 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . 2.3 mtmm -98.8 -23.85 15.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 64.540000000000006 109.247 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.676 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 55.7 m -49.83 -42.38 47.1 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.496 1.123 . . . . 71.200000000000003 108.289 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 24' ' ' ALA . 2.0 t -89.52 -43.0 11.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 64.0 110.006 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.645 ' HB3' ' HA ' ' A' ' 21' ' ' LYS . . . -38.84 -66.65 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 72.5 109.281 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.43 -16.61 55.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 63.450000000000003 109.317 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.31 20.51 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 70.010000000000005 110.268 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -135.41 160.51 38.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 71.510000000000005 111.036 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -63.16 -12.45 27.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 74.530000000000001 110.302 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -50.01 -84.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 70.109999999999999 109.301 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.81 -29.59 11.07 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.471 1.107 . . . . 65.239999999999995 111.066 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -165.52 127.67 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 70.230000000000004 110.98 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 60.350000000000001 110.993 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.573 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 9.2 mtp . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.523 0.201 . . . . 72.049999999999997 110.906 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 1' ' ' MET . . . 76.15 -161.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.078 . . . . 55.140000000000001 109.282 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 m -40.47 129.6 2.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 75.519999999999996 110.41 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.6 167.13 19.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 72.439999999999998 110.369 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 34.7 mtt 59.23 173.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 61.409999999999997 111.04 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.08 111.19 19.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 74.329999999999998 110.264 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.37 -37.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.572 1.17 . . . . 74.200000000000003 110.292 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.907 ' HA ' HG22 ' A' ' 15' ' ' THR . 1.8 tm-20 -108.52 74.12 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 64.010000000000005 110.313 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.874 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -143.59 101.08 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 71.299999999999997 109.326 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.645 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.1 t -110.27 178.68 4.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 51.009999999999998 108.317 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.25 7.15 2.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 32.200000000000003 109.346 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.687 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -124.4 -46.46 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 65.329999999999998 109.597 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.664 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 8.6 p 143.72 43.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 53.32 109.984 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.645 ' O ' ' N ' ' A' ' 10' ' ' CYS . 1.1 ttt -151.57 -155.26 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 72.340000000000003 111.009 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.907 HG22 ' HA ' ' A' ' 8' ' ' GLU . 6.4 p -104.69 156.95 17.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 71.129999999999995 110.451 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -43.7 -48.56 7.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 72.299999999999997 110.974 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.536 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -67.92 -26.14 65.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.169 . . . . 74.310000000000002 110.311 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.593 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.3 OUTLIER -92.17 1.15 57.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 65.219999999999999 110.288 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.748 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 34.8 t -57.35 -38.86 72.55 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 70.319999999999993 108.315 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.748 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.2 Cg_endo -74.97 -5.35 16.69 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.45 1.763 . . . . 74.510000000000005 110.967 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.38 -23.66 15.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 70.420000000000002 109.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.687 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 58.8 m -48.96 -49.79 38.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 65.209999999999994 108.357 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.27 -43.99 10.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 53.340000000000003 110.021 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 20' ' ' PRO . . . -92.23 55.95 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 73.409999999999997 109.292 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.627 HD22 ' CD2' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -82.0 2.88 28.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 74.129999999999995 109.301 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.534 ' O ' ' CG ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER 37.69 30.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 74.209999999999994 110.313 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.627 ' CD2' HD22 ' A' ' 25' ' ' LEU . 3.0 m-30 -112.77 13.52 19.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 75.129999999999995 111.003 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 63.7 12.27 6.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 72.010000000000005 110.296 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -82.0 -41.82 20.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 71.510000000000005 109.274 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 58.94 -101.13 0.2 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 73.530000000000001 111.059 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -110.99 48.62 0.91 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 0.779 . . . . 74.120000000000005 111.062 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 65.329999999999998 110.989 -179.942 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.48 ' O ' ' CG ' ' A' ' 1' ' ' MET . 1.5 ptt? . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.505 0.193 . . . . 55.310000000000002 110.964 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.94 179.06 9.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.163 . . . . 71.140000000000001 109.298 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.4 m -94.77 112.02 23.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.592 1.183 . . . . 72.540000000000006 110.41 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.65 122.7 43.74 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.602 1.189 . . . . 63.539999999999999 110.404 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -43.33 14.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 74.129999999999995 111.019 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.45 ' C ' ' CG ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 69.06 74.71 0.25 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.113 . . . . 71.230000000000004 110.313 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.505 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER 179.46 39.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 54.049999999999997 110.359 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.744 ' HA ' HG23 ' A' ' 15' ' ' THR . 0.5 OUTLIER 86.76 84.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 74.010000000000005 110.293 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.869 ' H ' HD12 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -143.06 87.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 62.109999999999999 109.3 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.678 ' N ' ' O ' ' A' ' 14' ' ' MET . 4.0 t -113.56 179.69 3.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 64.209999999999994 108.28 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.42 9.49 3.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 64.409999999999997 109.302 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.674 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -127.86 -46.48 1.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 72.340000000000003 109.609 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.674 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.4 m 143.91 46.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 72.409999999999997 109.986 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.678 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.8 OUTLIER -154.98 -167.45 2.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 60.439999999999998 110.997 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.744 HG23 ' HA ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -102.56 158.76 16.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 70.140000000000001 110.477 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -42.31 -39.17 2.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.086 . . . . 74.409999999999997 110.984 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.545 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -77.16 -32.01 55.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 52.420000000000002 110.296 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.662 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.3 OUTLIER -94.05 8.08 42.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 71.430000000000007 110.296 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.838 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 43.4 t -67.17 -32.28 4.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 72.239999999999995 108.325 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.838 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.3 Cg_endo -75.09 1.11 8.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.445 1.76 . . . . 73.340000000000003 110.958 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.64 -26.58 13.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 74.540000000000006 109.265 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.644 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 16.2 m -49.28 -49.51 43.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 65.519999999999996 108.275 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.46 -43.56 10.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 73.409999999999997 109.948 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.784 ' HB3' ' O ' ' A' ' 20' ' ' PRO . . . -85.01 50.25 1.9 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 1.14 . . . . 62.520000000000003 109.256 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 tp -90.76 -3.31 57.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 75.140000000000001 109.262 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 49.24 28.46 2.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 74.340000000000003 110.283 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -123.03 30.82 6.23 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.456 1.097 . . . . 73.409999999999997 110.986 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 47.92 25.37 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 63.450000000000003 110.259 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -80.71 -60.81 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 64.230000000000004 109.254 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.05 -129.3 23.1 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.456 1.097 . . . . 73.329999999999998 110.993 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.589 ' CD2' ' O ' ' A' ' 32' ' ' TYR . 61.9 t80 -111.21 170.83 7.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 0.726 . . . . 73.129999999999995 110.973 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.589 ' O ' ' CD2' ' A' ' 31' ' ' PHE . 29.7 t80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 71.420000000000002 111.003 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 mtt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.485 0.183 . . . . 73.120000000000005 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.0 92.43 4.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 1.159 . . . . 72.340000000000003 109.365 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.83 89.24 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 51.409999999999997 110.45 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.49 ' O ' ' CB ' ' A' ' 5' ' ' MET . 1.0 OUTLIER -98.84 -140.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 74.549999999999997 110.306 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.49 ' CB ' ' O ' ' A' ' 4' ' ' THR . 0.0 OUTLIER 80.26 -5.48 1.79 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 63.149999999999999 111.034 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 39.43 82.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 73.219999999999999 110.299 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.554 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 3.2 mm100 -131.33 -44.72 1.01 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.088 . . . . 52.210000000000001 110.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.821 ' N ' HG23 ' A' ' 15' ' ' THR . 0.6 OUTLIER 156.78 77.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 74.040000000000006 110.282 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.863 ' H ' HD12 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -143.98 88.06 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 73.430000000000007 109.232 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.657 ' N ' ' O ' ' A' ' 14' ' ' MET . 4.1 t -113.83 -179.68 3.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 64.519999999999996 108.315 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.71 9.95 3.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 73.549999999999997 109.266 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.68 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -129.71 -45.38 1.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 74.349999999999994 109.557 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.68 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.5 m 143.14 44.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 72.319999999999993 109.92 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.657 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -151.58 -168.36 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 73.349999999999994 110.959 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.821 HG23 ' N ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -103.92 159.11 15.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 71.430000000000007 110.452 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -40.9 -42.68 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 73.219999999999999 111.001 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.539 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -77.57 -31.45 53.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 53.530000000000001 110.371 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.679 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -93.7 9.7 35.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.519999999999996 110.326 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.857 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 36.3 t -69.64 -30.55 2.14 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 72.409999999999997 108.34 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.857 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.0 Cg_endo -75.07 1.6 7.6 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.56 1.821 . . . . 65.310000000000002 110.985 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -100.39 -26.06 14.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.107 . . . . 72.200000000000003 109.312 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.63 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 20.0 m -49.43 -49.13 46.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 70.420000000000002 108.306 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.31 -41.58 12.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 32.109999999999999 110.031 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 20' ' ' PRO . . . -72.74 68.16 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 71.409999999999997 109.356 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -153.03 81.84 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 72.530000000000001 109.304 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 25' ' ' LEU . 3.8 tm0? -36.94 -30.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 74.140000000000001 110.317 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -39.43 160.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 71.549999999999997 111.027 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -53.02 -19.14 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 73.450000000000003 110.263 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' ARG . 0.3 OUTLIER -39.65 -34.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 52.210000000000001 109.334 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -41.23 149.15 0.25 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.543 1.152 . . . . 43.130000000000003 110.966 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -37.97 128.39 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 62.039999999999999 110.99 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 71.019999999999996 111.0 -179.933 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.542 0.211 . . . . 53.340000000000003 111.009 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.55 -59.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 33.310000000000002 109.317 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.1 m 55.05 -91.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 72.209999999999994 110.447 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 98.8 m -126.29 -61.97 1.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.184 . . . . 74.439999999999998 110.325 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 33.2 mmm -106.84 -173.68 2.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 74.409999999999997 110.983 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.831 ' O ' HD11 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -114.15 -87.01 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 72.209999999999994 110.318 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.637 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 0.7 OUTLIER 90.49 -5.4 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 72.400000000000006 110.298 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.976 ' N ' HG23 ' A' ' 15' ' ' THR . 1.8 tm-20 147.95 60.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 72.129999999999995 110.354 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.866 HD13 ' C ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -143.62 92.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 73.230000000000004 109.304 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.71 ' N ' ' O ' ' A' ' 14' ' ' MET . 1.4 t -111.61 -178.47 3.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 1.121 . . . . 44.43 108.356 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.27 24.24 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 52.520000000000003 109.269 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.685 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -140.53 -47.65 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 61.43 109.624 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.635 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 4.3 p 147.67 43.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 63.43 109.984 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.71 ' O ' ' N ' ' A' ' 10' ' ' CYS . 1.2 ttm -156.56 -154.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 63.32 110.991 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.976 HG23 ' N ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -106.57 158.19 17.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 55.43 110.391 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -42.8 -55.43 3.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 72.5 111.009 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.523 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 1.2 mm-40 -61.14 -25.84 67.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 72.239999999999995 110.364 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.695 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -91.67 2.66 56.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 75.409999999999997 110.267 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.786 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 8.9 t -59.53 -34.84 24.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 71.120000000000005 108.241 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.786 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.4 Cg_endo -75.0 -4.05 14.83 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.587 1.835 . . . . 70.400000000000006 110.989 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -96.6 -31.52 12.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 64.430000000000007 109.215 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.685 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 6.6 m -52.7 -30.14 30.57 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.138 . . . . 64.109999999999999 108.332 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.93 -44.85 10.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.536 1.148 . . . . 54.329999999999998 109.989 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 26' ' ' GLN . . . -48.68 -47.46 40.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 74.519999999999996 109.313 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.614 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.4 OUTLIER 37.19 33.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 72.439999999999998 109.273 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.482 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER 32.15 39.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 53.229999999999997 110.327 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.567 ' CG ' HD13 ' A' ' 25' ' ' LEU . 1.1 m-85 -131.12 27.77 4.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 72.329999999999998 110.98 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 16.1 ptt-85 45.11 25.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 74.409999999999997 110.377 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.407 ' N ' ' C ' ' A' ' 27' ' ' TYR . 1.2 t-20 -91.13 14.21 14.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 65.200000000000003 109.332 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 31' ' ' PHE . . . -72.3 129.49 14.77 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.456 1.097 . . . . 41.439999999999998 110.971 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.414 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 0.2 OUTLIER 167.8 165.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.738 . . . . 74.120000000000005 110.974 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 64.120000000000005 111.014 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.56 0.219 . . . . 73.219999999999999 110.973 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 41.39 67.45 0.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 63.509999999999998 109.308 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 p -48.2 151.62 0.98 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.435 1.084 . . . . 73.129999999999995 110.342 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 t -150.21 72.44 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 75.019999999999996 110.356 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -50.8 24.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 71.549999999999997 111.029 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 75.63 88.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 70.109999999999999 110.311 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.842 ' O ' HG23 ' A' ' 15' ' ' THR . 5.7 pt20 176.67 -133.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 61.340000000000003 110.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.791 ' HA ' HG23 ' A' ' 15' ' ' THR . 4.5 pm0 -86.41 90.79 8.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 55.420000000000002 110.358 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.55 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -133.05 90.86 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 75.349999999999994 109.339 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.73 ' N ' ' O ' ' A' ' 14' ' ' MET . 1.8 t -112.34 -178.68 3.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 73.25 108.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.15 15.05 2.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 74.030000000000001 109.324 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.704 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -132.51 -46.94 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 65.310000000000002 109.596 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.64 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.4 t 146.95 41.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 71.219999999999999 109.994 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.73 ' O ' ' N ' ' A' ' 10' ' ' CYS . 1.7 mtp -151.9 -157.52 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 71.329999999999998 111.05 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.842 HG23 ' O ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -105.21 159.0 16.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 74.349999999999994 110.365 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -41.7 -58.2 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 74.120000000000005 111.009 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.519 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -61.39 -24.65 66.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 71.140000000000001 110.277 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.679 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.3 OUTLIER -92.25 1.73 57.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 71.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.794 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 14.7 t -59.49 -35.38 29.71 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 75.099999999999994 108.345 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.794 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.2 Cg_endo -75.03 -2.78 12.98 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.799 . . . . 73.129999999999995 110.995 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.72 -31.14 13.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 71.109999999999999 109.293 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.704 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 7.8 m -52.93 -30.96 37.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 45.200000000000003 108.275 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -44.75 10.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 75.120000000000005 109.978 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.47 66.1 9.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 75.019999999999996 109.325 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.51 -5.14 58.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 71.049999999999997 109.304 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 64.69 19.18 11.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.602 1.189 . . . . 73.510000000000005 110.327 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -120.48 175.71 5.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 74.5 111.045 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.32 -18.31 10.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 72.25 110.313 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.27 -36.87 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 71.239999999999995 109.255 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.33 123.32 5.68 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.445 1.091 . . . . 72.409999999999997 111.019 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 62.46 136.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 73.030000000000001 110.993 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 63.039999999999999 111.004 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.43 0.157 . . . . 64.439999999999998 110.904 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.62 ' C ' HG22 ' A' ' 3' ' ' THR . . . -94.31 -6.07 45.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 74.120000000000005 109.249 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.62 HG22 ' C ' ' A' ' 2' ' ' ALA . 0.5 OUTLIER -171.07 -62.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 71.109999999999999 110.361 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 49.04 -160.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 73.439999999999998 110.39 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.4 mmt 61.07 176.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 75.140000000000001 111.014 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.9 ' O ' HD11 ' A' ' 9' ' ' ILE . 3.1 mt-10 -104.08 -94.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 71.329999999999998 110.337 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.587 ' CB ' ' O ' ' A' ' 6' ' ' GLU . 0.9 OUTLIER 92.78 39.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 75.120000000000005 110.274 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.789 ' N ' HG23 ' A' ' 15' ' ' THR . 1.5 mm-40 92.09 65.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 71.219999999999999 110.296 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.9 HD11 ' O ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -143.64 93.41 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 70.430000000000007 109.331 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.681 ' N ' ' O ' ' A' ' 14' ' ' MET . 3.2 t -110.94 -179.61 3.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 70.439999999999998 108.246 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.55 12.29 3.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 70.219999999999999 109.306 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.637 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -130.42 -47.92 1.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 72.540000000000006 109.588 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.637 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 2.9 m 146.53 45.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 63.229999999999997 110.03 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.681 ' O ' ' N ' ' A' ' 10' ' ' CYS . 2.1 mtm -156.31 -161.73 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 73.030000000000001 110.996 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.789 HG23 ' N ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -105.78 160.29 15.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 72.099999999999994 110.378 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 1.4 t80 -41.06 -55.5 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 64.019999999999996 111.06 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.502 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -65.53 -28.03 68.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 71.099999999999994 110.291 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.67 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 4.0 mt-10 -93.82 8.07 42.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 64.150000000000006 110.33 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.844 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 52.9 t -68.26 -31.58 3.3 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 54.210000000000001 108.344 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.844 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.1 Cg_endo -75.08 0.34 9.06 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.446 1.761 . . . . 64.450000000000003 110.974 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.594 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . 28.5 mmtm -99.55 -27.11 13.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 74.230000000000004 109.299 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.636 ' HB3' ' CB ' ' A' ' 12' ' ' HIS . 14.3 m -50.34 -40.07 48.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 55.350000000000001 108.3 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 24' ' ' ALA . 1.6 t -89.46 -44.19 10.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 23.550000000000001 109.971 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.594 ' HB3' ' HA ' ' A' ' 21' ' ' LYS . . . -40.1 -36.11 0.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.105 . . . . 61.539999999999999 109.304 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.598 HD23 ' HB2' ' A' ' 29' ' ' ASN . 0.9 OUTLIER -159.6 91.16 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 60.420000000000002 109.316 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.412 ' C ' ' H ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -44.06 -20.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.606 1.191 . . . . 64.239999999999995 110.278 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.507 ' O ' ' CG ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -75.61 11.36 1.33 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.403 1.064 . . . . 71.200000000000003 111.01 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 45.92 24.14 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 74.310000000000002 110.329 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.598 ' HB2' HD23 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -81.64 2.29 30.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 74.400000000000006 109.331 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -42.19 132.63 4.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.54 1.15 . . . . 72.209999999999994 110.979 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 60.41 165.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 64.400000000000006 110.969 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.581 1.175 . . . . 65.430000000000007 111.021 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.49 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 7.9 mtm . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.552 0.215 . . . . 63.049999999999997 110.95 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 1' ' ' MET . . . 71.24 79.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 61.130000000000003 109.279 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -94.73 -144.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 72.140000000000001 110.381 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m -127.7 31.1 5.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 72.439999999999998 110.365 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.2 mtp -107.02 -47.69 3.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 64.040000000000006 111.034 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 41.67 86.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 71.420000000000002 110.241 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.48 -57.84 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 73.439999999999998 110.347 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.92 ' CA ' HG22 ' A' ' 15' ' ' THR . 7.8 mt-10 -135.13 36.41 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.175 . . . . 72.030000000000001 110.302 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.851 HD13 ' O ' ' A' ' 8' ' ' GLU . 6.4 mm -146.61 116.17 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 55.32 109.325 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.728 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.5 OUTLIER -109.64 173.71 6.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 64.519999999999996 108.34 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.31 20.4 4.47 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.558 1.161 . . . . 70.140000000000001 109.245 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.654 ' CD2' ' N ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -139.44 -43.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 74.430000000000007 109.579 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.8 m -135.52 -95.76 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 75.219999999999999 110.001 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.728 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -146.99 -80.47 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 72.310000000000002 110.998 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.92 HG22 ' CA ' ' A' ' 8' ' ' GLU . 1.9 p -108.02 177.64 4.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 73.219999999999999 110.496 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -67.04 -27.18 67.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 64.239999999999995 111.01 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.549 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -77.95 -28.57 49.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 74.040000000000006 110.332 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.647 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 3.7 mt-10 -108.68 -2.97 18.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 73.239999999999995 110.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.973 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 4.4 t -124.73 28.8 0.17 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 53.109999999999999 108.282 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.973 ' HD3' ' N ' ' A' ' 19' ' ' CYS . 18.5 Cg_endo -74.96 -27.43 10.1 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.502 1.791 . . . . 63.409999999999997 111.016 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -39.48 69.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 72.439999999999998 109.289 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.541 ' HB2' ' CG ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -52.65 -28.04 19.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 71.299999999999997 108.27 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.04 -34.43 16.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 75.010000000000005 110.002 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.91 57.21 2.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 61.420000000000002 109.283 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.416 HD12 ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -92.45 2.08 56.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 62.509999999999998 109.359 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 57.87 18.74 5.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 72.549999999999997 110.315 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.416 ' CD2' HD12 ' A' ' 25' ' ' LEU . 2.1 m-85 -108.59 -173.34 2.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.58 1.175 . . . . 64.120000000000005 110.998 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -63.67 -15.82 59.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 63.43 110.309 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -50.42 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 51.549999999999997 109.361 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.05 -173.42 0.05 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.478 1.111 . . . . 64.109999999999999 110.939 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -127.03 92.64 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 70.209999999999994 111.044 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 75.200000000000003 110.999 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 mtt . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.529 0.204 . . . . 70.030000000000001 110.962 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.76 146.01 27.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 71.109999999999999 109.292 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.9 102.48 2.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 64.430000000000007 110.422 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 4' ' ' THR . 1.0 OUTLIER 53.35 89.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 62.509999999999998 110.351 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.4 mtp -72.6 171.33 12.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 74.140000000000001 111.04 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -119.07 38.16 3.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 74.230000000000004 110.327 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -124.37 66.28 1.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 73.150000000000006 110.261 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.922 ' CA ' HG22 ' A' ' 15' ' ' THR . 6.3 mt-10 67.42 36.66 3.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 72.310000000000002 110.374 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.833 HD13 ' O ' ' A' ' 8' ' ' GLU . 7.6 mm -147.0 116.25 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 73.430000000000007 109.285 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.729 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.5 OUTLIER -109.77 173.53 6.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 63.119999999999997 108.306 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.428 ' HB2' ' OG1' ' A' ' 4' ' ' THR . . . -90.21 20.42 4.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 43.049999999999997 109.297 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.655 ' CD2' ' N ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -139.49 -43.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 74.310000000000002 109.613 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.5 m -135.5 -95.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 52.109999999999999 110.004 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.729 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -147.33 -80.32 0.15 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.424 1.077 . . . . 70.120000000000005 110.989 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.922 HG22 ' CA ' ' A' ' 8' ' ' GLU . 2.2 p -108.24 177.56 4.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 63.450000000000003 110.397 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -67.01 -27.07 67.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 64.230000000000004 111.007 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.55 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -78.04 -28.57 49.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 65.230000000000004 110.294 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.648 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 26.7 mt-10 -108.73 -2.93 18.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 75.310000000000002 110.33 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.978 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 4.3 t -124.63 28.67 0.16 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 70.019999999999996 108.316 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.978 ' HD3' ' N ' ' A' ' 19' ' ' CYS . 18.3 Cg_endo -74.94 -26.99 10.53 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.431 1.753 . . . . 44.43 110.991 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.31 -39.49 68.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 73.129999999999995 109.315 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.54 ' HB2' ' CG ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -52.63 -25.82 11.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 70.420000000000002 108.276 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.18 -34.0 22.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 71.209999999999994 109.961 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -112.81 53.26 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 63.530000000000001 109.303 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 22' ' ' CYS . 1.5 tp -80.44 -2.84 47.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 70.329999999999998 109.258 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 64.86 12.25 7.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 74.209999999999994 110.268 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -124.9 163.3 22.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 73.019999999999996 110.994 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.57 -21.35 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 74.549999999999997 110.313 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -41.74 -57.55 2.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 73.109999999999999 109.341 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.23 73.91 0.14 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.601 1.188 . . . . 73.140000000000001 111.044 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.578 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 1.1 t80 -114.36 20.29 15.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 0.787 . . . . 73.519999999999996 110.972 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.452 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 71.140000000000001 110.982 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.8 mtm . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.426 0.155 . . . . 74.150000000000006 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.83 164.12 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.59 1.181 . . . . 60.43 109.354 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.7 p -54.66 177.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 73.25 110.348 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.86 163.4 33.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 43.140000000000001 110.431 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 36.6 mtm -111.69 -15.64 13.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 75.299999999999997 110.995 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 46.31 75.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.592 1.183 . . . . 71.019999999999996 110.258 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.423 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 28.8 mm-40 -120.74 45.64 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 74.349999999999994 110.284 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.845 ' O ' HD13 ' A' ' 9' ' ' ILE . 13.1 mt-10 67.68 36.28 3.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.079 . . . . 71.409999999999997 110.363 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.845 HD13 ' O ' ' A' ' 8' ' ' GLU . 6.3 mm -147.07 115.77 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 72.340000000000003 109.286 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.765 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.3 OUTLIER -110.53 172.05 7.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 51.539999999999999 108.279 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.55 17.68 5.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 63.340000000000003 109.322 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.631 ' CD2' ' N ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -134.54 -42.35 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 73.510000000000005 109.566 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.7 m -140.02 -94.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 64.439999999999998 109.965 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.765 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -145.57 -86.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 60.520000000000003 111.014 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.8 HG22 ' CA ' ' A' ' 8' ' ' GLU . 0.4 OUTLIER -108.21 156.32 19.47 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.532 1.145 . . . . 60.219999999999999 110.423 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.455 ' O ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -46.57 -39.1 10.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.182 . . . . 73.230000000000004 110.943 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -57.02 -35.92 69.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 74.0 110.225 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.642 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 2.3 tt0 -110.5 1.3 18.14 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 54.130000000000003 110.31 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.996 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 2.4 t -122.28 26.53 0.12 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 72.209999999999994 108.384 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.996 ' HD3' ' N ' ' A' ' 19' ' ' CYS . 18.5 Cg_endo -74.89 -25.08 12.44 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.536 1.808 . . . . 74.099999999999994 111.061 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.58 -38.13 55.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 63.310000000000002 109.332 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.571 ' HB2' ' CG ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -51.95 -24.96 7.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 73.439999999999998 108.327 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.69 -42.42 11.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 73.329999999999998 109.97 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.63 62.19 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.611 1.195 . . . . 51.32 109.269 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.28 -0.16 56.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 72.140000000000001 109.319 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 48.24 27.05 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 42.299999999999997 110.294 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -113.21 31.22 6.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 71.310000000000002 110.954 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.6 mmt-85 58.36 18.41 5.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 74.140000000000001 110.344 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -93.53 10.83 30.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 71.340000000000003 109.347 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 140.06 75.52 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.118 . . . . 23.109999999999999 110.996 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.419 ' C ' ' CD1' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -133.44 98.29 4.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 74.040000000000006 110.985 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 74.510000000000005 111.037 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mtm . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.526 0.203 . . . . 64.319999999999993 111.001 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.94 43.78 1.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 55.25 109.308 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.494 ' CG2' ' SG ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -112.27 19.42 17.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 71.340000000000003 110.427 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.4 m -124.47 30.25 6.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 75.530000000000001 110.378 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.522 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -128.43 -92.3 0.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.447 1.092 . . . . 72.439999999999998 111.045 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.522 ' CB ' ' O ' ' A' ' 5' ' ' MET . 1.5 tt0 158.17 80.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 74.140000000000001 110.333 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -136.98 -164.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 74.310000000000002 110.3 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.938 ' CA ' HG22 ' A' ' 15' ' ' THR . 0.6 OUTLIER -106.16 38.7 1.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 63.210000000000001 110.328 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.868 HD13 ' O ' ' A' ' 8' ' ' GLU . 6.1 mm -146.37 116.36 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 75.140000000000001 109.277 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.729 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.5 OUTLIER -109.69 173.47 6.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.412 1.07 . . . . 74.319999999999993 108.273 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.12 21.07 3.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 73.040000000000006 109.316 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.655 ' CD2' ' N ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -140.71 -43.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 75.329999999999998 109.606 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 m -135.65 -95.99 0.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 61.530000000000001 109.946 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.729 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -146.53 -79.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 74.340000000000003 111.001 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.938 HG22 ' CA ' ' A' ' 8' ' ' GLU . 3.0 p -108.17 173.56 6.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 44.039999999999999 110.473 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -66.8 -25.97 66.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 75.049999999999997 111.019 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.542 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -76.78 -30.18 56.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 75.239999999999995 110.294 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.641 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -109.5 -1.61 18.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 73.150000000000006 110.308 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.985 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 5.3 t -124.01 28.24 0.15 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 74.519999999999996 108.274 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.985 ' HD3' ' N ' ' A' ' 19' ' ' CYS . 18.3 Cg_endo -74.98 -27.71 9.82 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.797 . . . . 71.120000000000005 110.965 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -38.28 73.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 71.239999999999995 109.255 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.56 ' HB2' ' CG ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -52.65 -24.35 8.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 73.030000000000001 108.294 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.5 t -87.11 -40.13 14.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 72.409999999999997 110.038 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.83 -60.97 2.5 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.515 1.134 . . . . 64.329999999999998 109.338 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.434 HD13 ' CB ' ' A' ' 29' ' ' ASN . 0.7 OUTLIER -69.2 -28.81 66.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 65.510000000000005 109.264 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 63.71 12.14 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 71.549999999999997 110.353 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -119.16 164.28 15.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 74.409999999999997 110.992 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -64.77 -11.26 34.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 65.319999999999993 110.238 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.434 ' CB ' HD13 ' A' ' 25' ' ' LEU . 1.9 m-20 -42.49 -80.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 73.310000000000002 109.324 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.41 156.77 0.29 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 32.020000000000003 111.011 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -146.34 120.83 9.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.757 . . . . 62.43 110.967 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 74.540000000000006 111.003 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.528 0.204 . . . . 75.439999999999998 111.059 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.41 -97.21 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.471 1.107 . . . . 75.420000000000002 109.356 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.9 p -107.12 169.88 8.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 64.530000000000001 110.405 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.6 p -131.55 -176.33 4.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 63.329999999999998 110.391 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 12.8 mmt 65.01 168.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 52.43 111.017 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -115.39 75.82 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 74.030000000000001 110.327 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.697 ' C ' HG23 ' A' ' 15' ' ' THR . 14.7 mm100 -140.83 -167.08 2.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 73.109999999999999 110.292 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.856 ' N ' HG23 ' A' ' 15' ' ' THR . 0.1 OUTLIER -65.62 72.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 65.450000000000003 110.293 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -144.91 91.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 73.349999999999994 109.257 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.566 ' C ' ' H ' ' A' ' 12' ' ' HIS . 1.7 p -112.87 -170.79 1.74 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 73.420000000000002 108.327 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.586 ' C ' ' CD2' ' A' ' 12' ' ' HIS . . . -73.67 36.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 51.229999999999997 109.301 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.686 ' CD2' ' N ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -158.01 -58.98 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 74.150000000000006 109.589 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.638 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 3.1 m 145.8 70.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 72.25 110.031 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.467 ' CG ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER 177.48 -177.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 72.530000000000001 110.972 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.856 HG23 ' N ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -99.56 157.91 16.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 1.155 . . . . 51.130000000000003 110.365 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.422 ' O ' ' HD3' ' A' ' 20' ' ' PRO . 76.7 m-85 -38.53 -31.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 73.400000000000006 110.964 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.459 ' O ' ' HD2' ' A' ' 20' ' ' PRO . 10.0 pt-20 -78.58 -44.06 25.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 54.420000000000002 110.25 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 15' ' ' THR . 3.5 mt-10 -98.68 10.98 39.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 65.430000000000007 110.247 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.804 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 32.6 t -76.09 -35.15 1.58 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 71.439999999999998 108.272 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.804 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.1 Cg_endo -75.07 -1.03 10.71 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.466 1.772 . . . . 65.019999999999996 111.007 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.64 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . 1.5 tmtp? -97.01 -21.5 17.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 75.349999999999994 109.247 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.535 ' HB3' ' CB ' ' A' ' 12' ' ' HIS . 16.9 m -51.4 -43.08 61.85 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 75.140000000000001 108.262 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.17 -44.07 10.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 73.150000000000006 110.017 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.64 ' HB3' ' HA ' ' A' ' 21' ' ' LYS . . . -59.05 -16.13 17.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 32.25 109.35 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.461 ' HA ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -47.65 -24.82 1.0 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 72.310000000000002 109.296 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.407 ' N ' ' C ' ' A' ' 24' ' ' ALA . 6.1 mt-30 51.31 68.83 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 72.540000000000006 110.274 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.546 ' CG ' ' N ' ' A' ' 28' ' ' ARG . 9.7 p90 -137.32 -45.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 64.25 111.016 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.546 ' N ' ' CG ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 38.01 30.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 73.230000000000004 110.289 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' TYR . 5.0 m-20 -89.15 -14.51 35.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 74.25 109.335 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.28 -122.28 7.89 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.477 1.111 . . . . 73.540000000000006 110.973 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 63.88 100.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 72.219999999999999 111.004 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 72.540000000000006 110.978 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 tmm? . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.475 0.179 . . . . 54.299999999999997 111.029 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.62 -91.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 64.239999999999995 109.258 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.11 111.41 5.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 42.310000000000002 110.439 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' A' ' 5' ' ' MET . 36.2 m -82.28 -48.84 10.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 71.519999999999996 110.383 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.457 ' CB ' ' O ' ' A' ' 4' ' ' THR . 0.5 OUTLIER 78.45 -64.33 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 74.200000000000003 111.045 -179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 62.63 35.93 13.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 74.439999999999998 110.319 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -108.63 -43.79 4.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 72.510000000000005 110.302 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.872 ' CB ' HG22 ' A' ' 15' ' ' THR . 5.5 pt-20 -165.67 41.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 74.540000000000006 110.287 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.632 ' N ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -145.38 107.26 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 74.040000000000006 109.322 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.503 ' CB ' ' SG ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER -111.24 -170.78 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 62.43 108.285 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.33 -19.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 62.32 109.338 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.649 ' CG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -94.26 -64.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 74.109999999999999 109.609 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.592 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 1.6 m 151.27 33.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 75.129999999999995 110.002 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.632 ' O ' ' N ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -140.87 -160.19 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.598 1.186 . . . . 72.25 111.051 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.872 HG22 ' CB ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -97.54 157.18 16.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 75.319999999999993 110.369 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.478 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -46.04 -34.58 4.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.153 . . . . 70.519999999999996 111.046 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.518 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.7 OUTLIER -74.54 -29.41 61.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 73.120000000000005 110.285 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.504 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 0.4 OUTLIER -93.0 -2.82 55.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 72.530000000000001 110.311 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.678 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -54.48 -42.54 95.02 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 74.310000000000002 108.349 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.678 ' CD ' ' N ' ' A' ' 19' ' ' CYS . 18.5 Cg_endo -75.02 -10.18 21.07 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.48 1.779 . . . . 71.010000000000005 110.995 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -99.33 -24.57 14.77 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.144 . . . . 72.430000000000007 109.265 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.649 ' CB ' ' CG ' ' A' ' 12' ' ' HIS . 84.4 m -48.82 -48.32 41.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 73.209999999999994 108.31 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.47 -43.51 10.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 75.409999999999997 109.994 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 20' ' ' PRO . . . -84.62 50.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 62.439999999999998 109.269 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.83 -14.89 16.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 73.109999999999999 109.245 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 69.2 13.81 8.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 63.409999999999997 110.322 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -110.67 20.61 17.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 64.200000000000003 110.988 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.2 mmm-85 44.14 29.43 0.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 75.140000000000001 110.293 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -82.29 -58.06 3.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.138 . . . . 63.420000000000002 109.332 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.72 6.18 67.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 50.100000000000001 111.006 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -98.56 79.39 2.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 72.019999999999996 110.988 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 45.7 p90 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 65.230000000000004 111.021 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.631 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 8.1 ptt? . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.546 0.212 . . . . 73.150000000000006 110.973 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 1' ' ' MET . . . 78.96 -72.6 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 44.439999999999998 109.236 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.411 HG22 ' OG1' ' A' ' 4' ' ' THR . 16.3 m 55.54 -90.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.102 . . . . 74.329999999999998 110.429 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.411 ' OG1' HG22 ' A' ' 3' ' ' THR . 11.7 p -152.39 -50.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 71.140000000000001 110.339 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.17 175.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.398 1.061 . . . . 71.420000000000002 110.97 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -108.78 93.76 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.175 . . . . 74.329999999999998 110.256 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.533 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -137.95 -50.64 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 74.510000000000005 110.274 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.781 ' N ' HG23 ' A' ' 15' ' ' THR . 0.0 OUTLIER 158.5 76.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 73.099999999999994 110.249 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.879 ' H ' HD12 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -143.95 87.06 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.148 . . . . 74.25 109.255 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.594 ' N ' ' O ' ' A' ' 14' ' ' MET . 4.4 t -114.07 -178.59 3.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 72.299999999999997 108.334 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.415 ' C ' ' CD2' ' A' ' 12' ' ' HIS . . . -83.42 29.12 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 65.329999999999998 109.364 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.706 ' CG ' ' HB2' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -149.49 -46.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 71.0 109.615 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.677 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 4.7 t 142.99 79.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 71.239999999999995 109.957 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.594 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.4 OUTLIER 153.86 -170.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 61.43 110.972 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.781 HG23 ' N ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -102.74 143.51 32.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 65.140000000000001 110.427 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -41.62 -29.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 63.219999999999999 111.013 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.555 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -84.72 -41.52 16.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 73.540000000000006 110.293 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.638 ' C ' ' CD ' ' A' ' 20' ' ' PRO . 10.6 tp10 -104.36 18.35 22.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 70.340000000000003 110.296 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.995 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 17.8 t -120.7 24.28 0.11 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 73.049999999999997 108.298 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.995 ' HD3' ' N ' ' A' ' 19' ' ' CYS . 18.2 Cg_endo -75.08 -5.03 16.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.436 1.756 . . . . 65.329999999999998 110.951 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.21 -36.88 16.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 72.319999999999993 109.307 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.706 ' HB2' ' CG ' ' A' ' 12' ' ' HIS . 13.1 p -50.47 -32.05 16.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 73.349999999999994 108.313 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.76 -37.51 17.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 34.210000000000001 109.959 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.16 -78.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 32.530000000000001 109.318 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -12.09 54.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 61.399999999999999 109.337 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 47.79 28.19 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 74.409999999999997 110.308 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -131.19 177.84 7.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 64.030000000000001 111.053 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.414 ' C ' ' N ' ' A' ' 30' ' ' GLY . 92.6 mtm-85 -72.54 -6.29 42.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 72.109999999999999 110.243 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.524 ' O ' ' CD2' ' A' ' 31' ' ' PHE . 1.1 m-20 -44.67 -27.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 75.200000000000003 109.276 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 28' ' ' ARG . . . -44.91 96.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.473 1.108 . . . . 61.350000000000001 111.043 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.524 ' CD2' ' O ' ' A' ' 29' ' ' ASN . 0.2 OUTLIER -116.73 -174.16 2.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 0.795 . . . . 75.430000000000007 111.014 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 63.149999999999999 110.973 -179.933 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_