data_1g4g_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 1g4g _Structure_validation_residue.Date_analyzed 2016-10-06 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 full ' A' A ' 1' ' ' THR . . . . . 0.422 ' C ' ' HG3' ' A' ' 2' ' ' LYS . 68.4 p . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.206 0.526 . . . . 3.1899999999999999 110.216 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.422 ' HG3' ' C ' ' A' ' 1' ' ' THR . 34.7 mtmt -141.33 77.0 1.57 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.314 -0.866 . . . . 3.8500000000000001 110.191 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' A' ' 58' ' ' ASP . . . -72.43 130.66 41.22 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.283 -0.886 . . . . 1.3200000000000001 110.201 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 59' ' ' GLY . 0.2 OUTLIER -54.67 -178.47 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.259 -0.901 . . . . 1.8500000000000001 110.256 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.468 ' N ' ' O ' ' A' ' 31' ' ' MET . 20.4 m -101.78 -145.1 0.35 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.176 -0.952 . . . . 0.69999999999999996 110.175 179.967 -47.951 171.34 172.177 104.101 2.02 104.376 -90.945 -129.936 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.478 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.5 tttt -155.9 108.6 2.65 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.249 -0.907 . . . . 3.73 110.124 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -39.65 100.65 0.22 Allowed Pre-proline 0 N--CA 1.494 1.728 0 O-C-N 121.352 -0.842 . . . . 1.25 110.507 -179.812 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 2.9 Cg_endo -62.45 -26.61 76.6 Favored 'Trans proline' 0 C--N 1.314 -1.271 0 O-C-N 123.564 1.297 . . . . 0.78000000000000003 110.556 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.2 t -128.3 175.55 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.191 -0.943 . . . . 1.26 110.178 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 1.4 ttmt -111.49 0.79 16.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.306 -0.871 . . . . 3.4199999999999999 110.256 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 24.7 mttt -148.21 43.13 1.03 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.226 -0.922 . . . . 3.1299999999999999 110.152 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.08 126.18 35.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.259 -0.901 . . . . 1.1599999999999999 110.19 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 m -107.03 110.57 22.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.292 -0.88 . . . . 1.26 110.14 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.3 m -115.27 -178.76 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.206 -0.934 . . . . 1.3100000000000001 110.229 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.592 ' CG2' ' CE2' ' A' ' 40' ' ' PHE . 74.6 t -120.33 92.63 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.238 -0.914 . . . . 1.1499999999999999 110.205 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.464 ' O ' ' HB2' ' A' ' 19' ' ' GLU . 10.2 t80 -88.13 119.53 28.6 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.145 -0.972 . . . . 2.2200000000000002 110.197 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 16' ' ' TYR . 6.4 mm100 57.88 34.39 24.29 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.313 -0.867 . . . . 3.6299999999999999 110.192 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 74.55 39.44 41.5 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.581 -1.408 . . . . 0.94999999999999996 109.581 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' A' ' 16' ' ' TYR . 38.7 mt-10 -140.01 124.43 18.0 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.306 -1.114 . . . . 2.1899999999999999 110.145 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.443 ' O ' HG11 ' A' ' 21' ' ' VAL . 4.0 mtm180 -82.67 118.99 23.73 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.218 -0.926 . . . . 2.7400000000000002 110.22 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.443 HG11 ' O ' ' A' ' 20' ' ' ARG . 10.1 m -143.31 159.94 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.212 -0.93 . . . . 1.23 110.24 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.485 ' HB3' ' CG ' ' A' ' 24' ' ' GLN . 44.1 mmtt -91.5 109.15 20.44 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.279 -0.888 . . . . 1.9399999999999999 110.179 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.423 HG21 HD11 ' A' ' 23' ' ' ILE . 7.7 tt -48.62 -23.67 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.285 -0.884 . . . . 1.3600000000000001 110.214 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.485 ' CG ' ' HB3' ' A' ' 22' ' ' LYS . 2.5 pt20 -70.63 -15.83 62.77 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.232 -0.917 . . . . 1.1899999999999999 110.173 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 24' ' ' GLN . 5.0 mt-10 -116.15 -59.61 1.96 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.24 -0.913 . . . . 2.0600000000000001 110.284 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -54.86 -29.41 55.25 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.236 -0.915 . . . . 2.2599999999999998 110.277 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.508 ' CD1' ' HA ' ' A' ' 31' ' ' MET . 60.2 m-85 -121.06 41.49 3.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.317 -0.864 . . . . 2.3599999999999999 110.232 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.38 -38.19 5.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.248 -0.908 . . . . 3.4300000000000002 110.241 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -100.24 51.79 0.89 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.29 -0.881 . . . . 1.6499999999999999 110.254 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.49 177.95 35.49 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.537 -1.425 . . . . 0.54000000000000004 109.537 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.508 ' HA ' ' CD1' ' A' ' 27' ' ' PHE . 3.0 mtm -107.67 152.13 24.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.26 -1.141 . . . . 1.77 110.23 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.3 mt -59.64 159.52 8.45 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.257 -0.902 . . . . 1.9299999999999999 110.293 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -72.73 129.85 39.15 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.201 -0.937 . . . . 1.5700000000000001 110.34 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 35' ' ' ASP . . . 85.08 -16.77 36.13 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.975 -1.25 . . . . 0.5 109.975 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 56' ' ' CYS . 5.4 t70 -42.74 126.18 3.62 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.137 -1.213 . . . . 1.6299999999999999 110.302 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -99.92 130.0 46.05 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.209 -0.932 . . . . 2.21 110.229 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 54' ' ' ALA . 32.1 m -140.11 140.31 35.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.262 -0.899 . . . . 1.5600000000000001 110.225 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.406 ' CB ' ' HB ' ' A' ' 51' ' ' THR . 0.8 OUTLIER -99.91 140.88 33.48 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.263 -0.898 . . . . 0.82999999999999996 110.295 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.481 ' CD1' ' CG ' ' A' ' 64' ' ' PRO . 43.6 m-85 -100.05 139.54 35.57 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.259 -0.9 . . . . 2.1400000000000001 110.002 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.592 ' CE2' ' CG2' ' A' ' 15' ' ' VAL . 13.4 m-85 -79.79 127.74 32.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.092 -1.005 . . . . 2.1800000000000002 110.568 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -133.81 178.5 6.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.337 -0.852 . . . . 0.87 109.957 179.75 -116.956 -141.125 -125.992 104.133 2.021 104.223 -85.508 -175.817 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -121.5 152.25 39.37 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.136 -0.977 . . . . 1.8100000000000001 110.48 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.509 ' ND2' ' HG3' ' A' ' 46' ' ' LYS . 10.3 t-20 -114.83 130.76 56.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.542 -0.724 . . . . 1.77 110.055 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -87.67 -38.11 16.14 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.196 -0.94 . . . . 3.5600000000000001 110.198 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -73.42 -19.44 60.97 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.295 -0.878 . . . . 2.1299999999999999 110.219 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.509 ' HG3' ' ND2' ' A' ' 43' ' ' ASN . 17.2 mttt -109.71 -19.75 13.06 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.233 -0.917 . . . . 2.6899999999999999 110.123 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 46' ' ' LYS . 8.0 mttt 69.79 31.0 3.64 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.458 -0.776 . . . . 2.75 110.76 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.516 ' CB ' ' HA ' ' A' ' 86' ' ' CYS . 0.6 OUTLIER -144.64 -176.14 4.94 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.067 -1.021 . . . . 0.76000000000000001 109.625 179.589 -25.984 144.93 20.128 103.674 2.022 104.284 51.446 -144.373 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.551 ' CB ' ' HB ' ' A' ' 83' ' ' VAL . 71.6 p -119.03 170.51 8.98 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.238 -0.914 . . . . 1.01 109.854 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 41' ' ' CYS . 1.4 p90 -160.35 -175.91 5.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.56 -0.712 . . . . 2.3100000000000001 109.881 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.406 ' HB ' ' CB ' ' A' ' 38' ' ' SER . 20.6 p -115.48 146.36 41.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.131 -0.981 . . . . 1.1000000000000001 110.601 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' ASP . 3.8 mm-40 -115.43 85.1 2.21 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.499 -0.751 . . . . 1.98 109.426 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 7.3 m-20 -40.06 145.1 0.17 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.447 -0.783 . . . . 1.1699999999999999 110.896 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 37' ' ' VAL . . . -135.97 175.63 9.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.544 -0.722 . . . . 1.05 109.813 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -135.37 139.45 44.24 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.162 -0.962 . . . . 1.8400000000000001 110.352 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.517 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 0.1 OUTLIER -95.61 157.11 16.04 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.273 -0.892 . . . . 1.04 110.1 179.853 -129.936 -90.945 172.177 104.376 2.02 104.101 171.34 -47.951 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.517 ' CD1' ' O ' ' A' ' 56' ' ' CYS . 16.4 mm -140.28 179.92 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.278 -0.889 . . . . 1.8799999999999999 110.256 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.459 ' HA ' ' O ' ' A' ' 3' ' ' ALA . 1.5 t70 -53.6 97.33 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.328 -0.857 . . . . 1.46 110.811 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 4' ' ' SER . . . 51.83 19.16 4.77 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 110.327 -1.109 . . . . 0.62 110.327 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.452 ' O ' ' HB ' ' A' ' 57' ' ' ILE . 97.3 m -139.78 146.78 39.9 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.066 -1.255 . . . . 1.1299999999999999 110.211 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.451 HD13 ' HA ' ' A' ' 56' ' ' CYS . 0.4 OUTLIER -158.83 145.7 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.112 -0.993 . . . . 1.3100000000000001 110.26 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.424 ' N ' HG13 ' A' ' 61' ' ' ILE . 4.3 mt-10 -107.52 85.64 2.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.331 -0.855 . . . . 2.2999999999999998 110.12 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.464 HG13 ' HD2' ' A' ' 64' ' ' PRO . 49.3 t -54.39 144.48 41.79 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.276 -0.89 . . . . 1.9099999999999999 110.177 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.481 ' CG ' ' CD1' ' A' ' 39' ' ' PHE . 3.0 Cg_endo -62.14 126.72 19.32 Favored 'Trans proline' 0 C--N 1.312 -1.382 0 O-C-N 123.637 1.335 . . . . 0.81999999999999995 110.564 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 66' ' ' CYS . 7.4 mtpt -51.0 -50.95 57.52 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.306 -0.871 . . . . 4.1799999999999997 110.378 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 65' ' ' LYS . 42.5 t -42.61 -29.01 0.26 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.274 -0.891 . . . . 1.3600000000000001 110.229 -179.917 -175.817 -85.508 -125.992 104.223 2.021 104.133 -141.125 -116.956 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.482 ' CG ' ' N ' ' A' ' 68' ' ' LYS . 60.0 t80 -55.1 172.65 0.11 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.303 -0.873 . . . . 2.5800000000000001 110.222 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.482 ' N ' ' CG ' ' A' ' 67' ' ' PHE . 0.7 OUTLIER -147.84 104.17 3.56 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.345 -0.847 . . . . 5.6100000000000003 109.91 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.57 ' HG2' ' CD2' ' A' ' 70' ' ' HIS . 27.5 tt0 -41.72 -54.36 3.33 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.339 -0.85 . . . . 3.96 110.453 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.57 ' CD2' ' HG2' ' A' ' 69' ' ' GLU . 1.7 p80 -160.12 -35.87 0.05 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.125 -0.984 . . . . 6.8700000000000001 110.523 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.461 ' O ' ' O ' ' A' ' 72' ' ' SER . 0.6 OUTLIER 46.44 95.53 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.15 -0.968 . . . . 5.4000000000000004 110.082 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.461 ' O ' ' O ' ' A' ' 71' ' ' SER . 19.9 m -55.34 -164.08 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.206 -0.934 . . . . 6.0700000000000003 110.277 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 72' ' ' SER . 0.4 OUTLIER 57.4 71.13 0.6 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.264 -0.897 . . . . 6.9699999999999998 110.29 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.52 91.65 8.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.228 -0.92 . . . . 6.1699999999999999 110.104 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.463 ' O ' ' HG2' ' A' ' 77' ' ' LYS . 1.0 OUTLIER -106.34 -159.58 0.71 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.142 -0.974 . . . . 8.3300000000000001 110.458 -179.866 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.461 ' O ' ' HB3' ' A' ' 77' ' ' LYS . 0.2 OUTLIER -60.2 94.18 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.306 -0.871 . . . . 9.3699999999999992 110.44 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -178.87 108.41 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.224 -0.922 . . . . 7.3099999999999996 110.206 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.414 HG23 ' HB2' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -75.34 140.59 43.15 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.231 -0.918 . . . . 2.8199999999999998 110.171 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.456 ' O ' HG21 ' A' ' 83' ' ' VAL . 68.3 m-20 -66.84 138.05 57.05 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.236 -0.915 . . . . 2.4900000000000002 110.223 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.571 ' CB ' ' CA ' ' A' ' 41' ' ' CYS . . . -42.13 -34.44 0.74 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.368 -0.832 . . . . 1.1499999999999999 110.332 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.506 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . 0.4 OUTLIER -59.73 -13.26 9.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.331 -0.856 . . . . 1.8400000000000001 110.366 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.414 ' HB2' HG23 ' A' ' 78' ' ' THR . 22.5 m-20 -126.48 29.64 5.72 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.091 -1.006 . . . . 1.3999999999999999 110.468 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.551 ' HB ' ' CB ' ' A' ' 49' ' ' SER . 3.7 t -114.33 164.65 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.292 -0.88 . . . . 1.1599999999999999 110.165 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -89.81 138.41 27.93 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.246 -0.909 . . . . 4.04 110.03 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 49' ' ' SER . 2.9 Cg_endo -61.92 136.4 61.23 Favored 'Trans proline' 0 C--N 1.313 -1.308 0 O-C-N 123.349 1.183 . . . . 0.71999999999999997 110.181 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.516 ' HA ' ' CB ' ' A' ' 48' ' ' CYS . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 117.912 -1.042 . . . . 1.26 110.205 -179.863 -144.373 51.446 20.128 104.284 2.022 103.674 144.93 -25.984 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.44 ' C ' ' HG3' ' A' ' 2' ' ' LYS . 68.4 p . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.206 0.526 . . . . 2.74 110.216 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.44 ' HG3' ' C ' ' A' ' 1' ' ' THR . 34.7 mtmt -141.33 77.0 1.57 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.314 -0.866 . . . . 3.45 110.191 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.542 ' HB3' ' CG ' ' A' ' 58' ' ' ASP . . . -72.43 130.66 41.22 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.283 -0.886 . . . . 1.32 110.201 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 59' ' ' GLY . 0.2 OUTLIER -54.67 -178.47 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.259 -0.901 . . . . 1.48 110.256 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.468 ' N ' ' O ' ' A' ' 31' ' ' MET . 20.4 m -101.78 -145.1 0.35 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.176 -0.952 . . . . 0.7 110.175 179.967 -47.951 171.34 172.177 104.101 2.02 104.376 -90.945 -129.936 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.453 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.5 tttt -155.9 108.6 2.65 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.249 -0.907 . . . . 3.31 110.124 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -39.65 100.65 0.22 Allowed Pre-proline 0 N--CA 1.494 1.728 0 O-C-N 121.352 -0.842 . . . . 0.66 110.507 -179.812 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 2.9 Cg_endo -62.45 -26.61 76.6 Favored 'Trans proline' 0 C--N 1.314 -1.271 0 O-C-N 123.564 1.297 . . . . 0.78 110.556 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.521 HG12 ' H ' ' A' ' 10' ' ' LYS . 5.2 t -128.3 175.55 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.191 -0.943 . . . . 1.0 110.178 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.521 ' H ' HG12 ' A' ' 9' ' ' VAL . 1.4 ttmt -111.49 0.79 16.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.306 -0.871 . . . . 3.05 110.256 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 24.7 mttt -148.21 43.13 1.03 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.226 -0.922 . . . . 2.82 110.152 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.925 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . . . -90.08 126.18 35.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.259 -0.901 . . . . 0.4 110.19 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 m -107.03 110.57 22.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.292 -0.88 . . . . 0.55 110.14 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 20' ' ' ARG . 15.3 m -115.27 -178.76 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.206 -0.934 . . . . 0.73 110.229 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.604 HG23 ' CE2' ' A' ' 40' ' ' PHE . 74.6 t -120.33 92.63 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.238 -0.914 . . . . 0.47 110.205 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.459 ' O ' ' HB2' ' A' ' 19' ' ' GLU . 10.2 t80 -88.13 119.53 28.6 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.145 -0.972 . . . . 1.31 110.197 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 16' ' ' TYR . 6.4 mm100 57.88 34.39 24.29 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.313 -0.867 . . . . 3.25 110.192 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 74.55 39.44 41.5 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.581 -1.408 . . . . 0.76 109.581 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.499 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 38.7 mt-10 -140.01 124.43 18.0 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.306 -1.114 . . . . 2.19 110.145 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 4.0 mtm180 -82.67 118.99 23.73 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.218 -0.926 . . . . 2.25 110.22 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.1 m -143.31 159.94 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.212 -0.93 . . . . 0.53 110.24 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.502 ' HB3' ' CG ' ' A' ' 24' ' ' GLN . 44.1 mmtt -91.5 109.15 20.44 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.279 -0.888 . . . . 1.4 110.179 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.925 ' CG2' ' HB3' ' A' ' 12' ' ' ALA . 7.7 tt -48.62 -23.67 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.285 -0.884 . . . . 0.76 110.214 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.502 ' CG ' ' HB3' ' A' ' 22' ' ' LYS . 2.5 pt20 -70.63 -15.83 62.77 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.232 -0.917 . . . . 1.19 110.173 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.43 ' N ' ' HG3' ' A' ' 24' ' ' GLN . 5.0 mt-10 -116.15 -59.61 1.96 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.24 -0.913 . . . . 2.06 110.284 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -54.86 -29.41 55.25 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.236 -0.915 . . . . 1.71 110.277 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.501 ' CD1' ' HA ' ' A' ' 31' ' ' MET . 60.2 m-85 -121.06 41.49 3.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.317 -0.864 . . . . 1.46 110.232 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.38 -38.19 5.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.248 -0.908 . . . . 3.01 110.241 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -100.24 51.79 0.89 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.29 -0.881 . . . . 1.52 110.254 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.49 177.95 35.49 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.537 -1.425 . . . . 0.47 109.537 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.501 ' HA ' ' CD1' ' A' ' 27' ' ' PHE . 3.0 mtm -107.67 152.13 24.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.26 -1.141 . . . . 1.16 110.23 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.3 mt -59.64 159.52 8.45 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.257 -0.902 . . . . 1.37 110.293 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -72.73 129.85 39.15 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.201 -0.937 . . . . 1.03 110.34 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 35' ' ' ASP . . . 85.08 -16.77 36.13 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.975 -1.25 . . . . 0.5 109.975 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 56' ' ' CYS . 5.4 t70 -42.74 126.18 3.62 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.137 -1.213 . . . . 1.63 110.302 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 54' ' ' ALA . 5.9 mttt -99.92 130.0 46.05 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.209 -0.932 . . . . 1.66 110.229 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 54' ' ' ALA . 32.1 m -140.11 140.31 35.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.262 -0.899 . . . . 0.92 110.225 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.415 ' CB ' ' HB ' ' A' ' 51' ' ' THR . 0.8 OUTLIER -99.91 140.88 33.48 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.263 -0.898 . . . . 0.29 110.295 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.481 ' CD1' ' CG ' ' A' ' 64' ' ' PRO . 43.6 m-85 -100.05 139.54 35.57 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.259 -0.9 . . . . 1.24 110.002 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.604 ' CE2' HG23 ' A' ' 15' ' ' VAL . 13.4 m-85 -79.79 127.74 32.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.092 -1.005 . . . . 1.27 110.568 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.599 ' HB3' ' CE1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -133.81 178.5 6.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.337 -0.852 . . . . 0.87 109.957 179.75 -116.956 -141.125 -125.992 104.133 2.021 104.223 -85.508 -175.817 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -121.5 152.25 39.37 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.136 -0.977 . . . . 1.32 110.48 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.499 ' ND2' ' HG3' ' A' ' 46' ' ' LYS . 10.3 t-20 -114.83 130.76 56.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.542 -0.724 . . . . 1.35 110.055 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -87.67 -38.11 16.14 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.196 -0.94 . . . . 3.09 110.198 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -73.42 -19.44 60.97 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.295 -0.878 . . . . 2.13 110.219 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.499 ' HG3' ' ND2' ' A' ' 43' ' ' ASN . 17.2 mttt -109.71 -19.75 13.06 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.233 -0.917 . . . . 2.21 110.123 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 46' ' ' LYS . 8.0 mttt 69.79 31.0 3.64 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.458 -0.776 . . . . 2.26 110.76 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.502 ' CB ' ' CA ' ' A' ' 86' ' ' CYS . 0.6 OUTLIER -144.64 -176.14 4.94 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.067 -1.021 . . . . 0.76 109.625 179.589 -25.984 144.93 20.128 103.674 2.022 104.284 51.446 -144.373 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.558 ' CB ' ' HB ' ' A' ' 83' ' ' VAL . 71.6 p -119.03 170.51 8.98 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.238 -0.914 . . . . 0.77 109.854 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.599 ' CE1' ' HB3' ' A' ' 41' ' ' CYS . 1.4 p90 -160.35 -175.91 5.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.56 -0.712 . . . . 1.37 109.881 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.415 ' HB ' ' CB ' ' A' ' 38' ' ' SER . 20.6 p -115.48 146.36 41.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.131 -0.981 . . . . 0.29 110.601 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' ASP . 3.8 mm-40 -115.43 85.1 2.21 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.499 -0.751 . . . . 1.98 109.426 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 7.3 m-20 -40.06 145.1 0.17 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.447 -0.783 . . . . 1.17 110.896 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 37' ' ' VAL . . . -135.97 175.63 9.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.544 -0.722 . . . . 0.25 109.813 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -135.37 139.45 44.24 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.162 -0.962 . . . . 1.55 110.352 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.894 ' O ' HD13 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -95.61 157.11 16.04 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.273 -0.892 . . . . 1.04 110.1 179.853 -129.936 -90.945 172.177 104.376 2.02 104.101 171.34 -47.951 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.894 HD13 ' O ' ' A' ' 56' ' ' CYS . 16.4 mm -140.28 179.92 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.278 -0.889 . . . . 1.25 110.256 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.645 ' H ' HG22 ' A' ' 57' ' ' ILE . 1.5 t70 -53.6 97.33 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.328 -0.857 . . . . 1.46 110.811 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 4' ' ' SER . . . 51.83 19.16 4.77 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 110.327 -1.109 . . . . 0.54 110.327 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.459 ' O ' ' HB ' ' A' ' 57' ' ' ILE . 97.3 m -139.78 146.78 39.9 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.066 -1.255 . . . . 0.5 110.211 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 56' ' ' CYS . 0.4 OUTLIER -158.83 145.7 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.112 -0.993 . . . . 0.57 110.26 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.435 ' N ' HG13 ' A' ' 61' ' ' ILE . 4.3 mt-10 -107.52 85.64 2.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.331 -0.855 . . . . 2.3 110.12 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.698 HG13 ' HD2' ' A' ' 64' ' ' PRO . 49.3 t -54.39 144.48 41.79 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.276 -0.89 . . . . 1.31 110.177 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.698 ' HD2' HG13 ' A' ' 63' ' ' VAL . 3.0 Cg_endo -62.14 126.72 19.32 Favored 'Trans proline' 0 C--N 1.312 -1.382 0 O-C-N 123.637 1.335 . . . . 0.82 110.564 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 66' ' ' CYS . 7.4 mtpt -51.0 -50.95 57.52 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.306 -0.871 . . . . 3.76 110.378 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 65' ' ' LYS . 42.5 t -42.61 -29.01 0.26 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.274 -0.891 . . . . 1.2 110.229 -179.917 -175.817 -85.508 -125.992 104.223 2.021 104.133 -141.125 -116.956 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.482 ' CG ' ' N ' ' A' ' 68' ' ' LYS . 60.0 t80 -55.1 172.65 0.11 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.303 -0.873 . . . . 1.78 110.222 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.482 ' N ' ' CG ' ' A' ' 67' ' ' PHE . 0.7 OUTLIER -147.84 104.17 3.56 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.345 -0.847 . . . . 5.17 109.91 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.616 ' OE1' ' CE1' ' A' ' 70' ' ' HIS . 27.5 tt0 -41.72 -54.36 3.33 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.339 -0.85 . . . . 3.96 110.453 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.616 ' CE1' ' OE1' ' A' ' 69' ' ' GLU . 6.7 p-80 -160.12 -35.87 0.05 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.125 -0.984 . . . . 6.0 110.523 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.461 ' O ' ' O ' ' A' ' 72' ' ' SER . 0.6 OUTLIER 46.44 95.53 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.15 -0.968 . . . . 5.05 110.082 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.461 ' O ' ' O ' ' A' ' 71' ' ' SER . 19.9 m -55.34 -164.08 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.206 -0.934 . . . . 5.62 110.277 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 72' ' ' SER . 0.4 OUTLIER 57.4 71.13 0.6 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.264 -0.897 . . . . 6.6 110.29 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.52 91.65 8.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.228 -0.92 . . . . 5.83 110.104 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.459 ' O ' ' HG2' ' A' ' 77' ' ' LYS . 1.0 OUTLIER -106.34 -159.58 0.71 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.142 -0.974 . . . . 7.52 110.458 -179.866 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.451 ' O ' ' HB3' ' A' ' 77' ' ' LYS . 0.2 OUTLIER -60.2 94.18 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.306 -0.871 . . . . 8.46 110.44 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -178.87 108.41 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.224 -0.922 . . . . 6.95 110.206 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.34 140.59 43.15 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.231 -0.918 . . . . 2.26 110.171 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.479 ' O ' HG23 ' A' ' 83' ' ' VAL . 68.3 m-20 -66.84 138.05 57.05 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.236 -0.915 . . . . 2.49 110.223 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.571 ' CB ' ' CA ' ' A' ' 41' ' ' CYS . . . -42.13 -34.44 0.74 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.368 -0.832 . . . . 0.52 110.332 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.461 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . 0.4 OUTLIER -59.73 -13.26 9.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.331 -0.856 . . . . 1.44 110.366 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -126.48 29.64 5.72 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.091 -1.006 . . . . 1.4 110.468 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.566 ' CG2' ' HA ' ' A' ' 80' ' ' ALA . 3.7 t -114.33 164.65 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.292 -0.88 . . . . 0.55 110.165 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -89.81 138.41 27.93 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.246 -0.909 . . . . 3.54 110.03 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.506 ' HA ' ' O ' ' A' ' 49' ' ' SER . 2.9 Cg_endo -61.92 136.4 61.23 Favored 'Trans proline' 0 C--N 1.313 -1.308 0 O-C-N 123.349 1.183 . . . . 0.65 110.181 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.502 ' CA ' ' CB ' ' A' ' 48' ' ' CYS . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 117.912 -1.042 . . . . 1.26 110.205 -179.863 -144.373 51.446 20.128 104.284 2.022 103.674 144.93 -25.984 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.44 ' C ' ' HG3' ' A' ' 2' ' ' LYS . 68.4 p . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.206 0.526 . . . . 2.7400000000000002 110.216 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.44 ' HG3' ' C ' ' A' ' 1' ' ' THR . 34.7 mtmt -141.33 77.0 1.57 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.314 -0.866 . . . . 3.4500000000000002 110.191 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.542 ' HB3' ' CG ' ' A' ' 58' ' ' ASP . . . -72.43 130.66 41.22 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.283 -0.886 . . . . 1.3200000000000001 110.201 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 59' ' ' GLY . 0.2 OUTLIER -54.67 -178.47 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.259 -0.901 . . . . 1.48 110.256 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.468 ' N ' ' O ' ' A' ' 31' ' ' MET . 20.4 m -101.78 -145.1 0.35 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.176 -0.952 . . . . 0.69999999999999996 110.175 179.967 -47.951 171.34 172.177 104.101 2.02 104.376 -90.945 -129.936 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.453 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.5 tttt -155.9 108.6 2.65 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.249 -0.907 . . . . 3.3100000000000001 110.124 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -39.65 100.65 0.22 Allowed Pre-proline 0 N--CA 1.494 1.728 0 O-C-N 121.352 -0.842 . . . . 0.66000000000000003 110.507 -179.812 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 2.9 Cg_endo -62.45 -26.61 76.6 Favored 'Trans proline' 0 C--N 1.314 -1.271 0 O-C-N 123.564 1.297 . . . . 0.78000000000000003 110.556 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.521 HG12 ' H ' ' A' ' 10' ' ' LYS . 5.2 t -128.3 175.55 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.191 -0.943 . . . . 1.0 110.178 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.521 ' H ' HG12 ' A' ' 9' ' ' VAL . 1.4 ttmt -111.49 0.79 16.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.306 -0.871 . . . . 3.0499999999999998 110.256 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 24.7 mttt -148.21 43.13 1.03 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.226 -0.922 . . . . 2.8199999999999998 110.152 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.925 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . . . -90.08 126.18 35.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.259 -0.901 . . . . 0.40000000000000002 110.19 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 m -107.03 110.57 22.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.292 -0.88 . . . . 0.55000000000000004 110.14 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 20' ' ' ARG . 15.3 m -115.27 -178.76 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.206 -0.934 . . . . 0.72999999999999998 110.229 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.604 HG23 ' CE2' ' A' ' 40' ' ' PHE . 74.6 t -120.33 92.63 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.238 -0.914 . . . . 0.46999999999999997 110.205 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.459 ' O ' ' HB2' ' A' ' 19' ' ' GLU . 10.2 t80 -88.13 119.53 28.6 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.145 -0.972 . . . . 1.3100000000000001 110.197 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 16' ' ' TYR . 6.4 mm100 57.88 34.39 24.29 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.313 -0.867 . . . . 3.25 110.192 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 74.55 39.44 41.5 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.581 -1.408 . . . . 0.76000000000000001 109.581 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.499 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 38.7 mt-10 -140.01 124.43 18.0 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.306 -1.114 . . . . 2.1899999999999999 110.145 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 4.0 mtm180 -82.67 118.99 23.73 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.218 -0.926 . . . . 2.25 110.22 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.1 m -143.31 159.94 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.212 -0.93 . . . . 0.53000000000000003 110.24 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.502 ' HB3' ' CG ' ' A' ' 24' ' ' GLN . 44.1 mmtt -91.5 109.15 20.44 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.279 -0.888 . . . . 1.3999999999999999 110.179 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.925 ' CG2' ' HB3' ' A' ' 12' ' ' ALA . 7.7 tt -48.62 -23.67 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.285 -0.884 . . . . 0.76000000000000001 110.214 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.502 ' CG ' ' HB3' ' A' ' 22' ' ' LYS . 2.5 pt20 -70.63 -15.83 62.77 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.232 -0.917 . . . . 1.1899999999999999 110.173 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.43 ' N ' ' HG3' ' A' ' 24' ' ' GLN . 5.0 mt-10 -116.15 -59.61 1.96 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.24 -0.913 . . . . 2.0600000000000001 110.284 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -54.86 -29.41 55.25 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.236 -0.915 . . . . 1.71 110.277 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.501 ' CD1' ' HA ' ' A' ' 31' ' ' MET . 60.2 m-85 -121.06 41.49 3.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.317 -0.864 . . . . 1.46 110.232 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.38 -38.19 5.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.248 -0.908 . . . . 3.0099999999999998 110.241 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -100.24 51.79 0.89 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.29 -0.881 . . . . 1.52 110.254 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.49 177.95 35.49 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.537 -1.425 . . . . 0.46999999999999997 109.537 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.501 ' HA ' ' CD1' ' A' ' 27' ' ' PHE . 3.0 mtm -107.67 152.13 24.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.26 -1.141 . . . . 1.1599999999999999 110.23 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.3 mt -59.64 159.52 8.45 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.257 -0.902 . . . . 1.3700000000000001 110.293 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -72.73 129.85 39.15 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.201 -0.937 . . . . 1.03 110.34 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 35' ' ' ASP . . . 85.08 -16.77 36.13 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.975 -1.25 . . . . 0.5 109.975 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 56' ' ' CYS . 5.4 t70 -42.74 126.18 3.62 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.137 -1.213 . . . . 1.6299999999999999 110.302 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 54' ' ' ALA . 5.9 mttt -99.92 130.0 46.05 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.209 -0.932 . . . . 1.6599999999999999 110.229 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 54' ' ' ALA . 32.1 m -140.11 140.31 35.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.262 -0.899 . . . . 0.92000000000000004 110.225 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.415 ' CB ' ' HB ' ' A' ' 51' ' ' THR . 0.8 OUTLIER -99.91 140.88 33.48 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.263 -0.898 . . . . 0.28999999999999998 110.295 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.481 ' CD1' ' CG ' ' A' ' 64' ' ' PRO . 43.6 m-85 -100.05 139.54 35.57 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.259 -0.9 . . . . 1.24 110.002 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.604 ' CE2' HG23 ' A' ' 15' ' ' VAL . 13.4 m-85 -79.79 127.74 32.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.092 -1.005 . . . . 1.27 110.568 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.599 ' HB3' ' CE1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -133.81 178.5 6.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.337 -0.852 . . . . 0.87 109.957 179.75 -116.956 -141.125 -125.992 104.133 2.021 104.223 -85.508 -175.817 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -121.5 152.25 39.37 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.136 -0.977 . . . . 1.3200000000000001 110.48 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.499 ' ND2' ' HG3' ' A' ' 46' ' ' LYS . 10.3 t-20 -114.83 130.76 56.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.542 -0.724 . . . . 1.3500000000000001 110.055 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -87.67 -38.11 16.14 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.196 -0.94 . . . . 3.0899999999999999 110.198 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -73.42 -19.44 60.97 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.295 -0.878 . . . . 2.1299999999999999 110.219 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.499 ' HG3' ' ND2' ' A' ' 43' ' ' ASN . 17.2 mttt -109.71 -19.75 13.06 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.233 -0.917 . . . . 2.21 110.123 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 46' ' ' LYS . 8.0 mttt 69.79 31.0 3.64 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.458 -0.776 . . . . 2.2599999999999998 110.76 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.502 ' CB ' ' CA ' ' A' ' 86' ' ' CYS . 0.6 OUTLIER -144.64 -176.14 4.94 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.067 -1.021 . . . . 0.76000000000000001 109.625 179.589 -25.984 144.93 20.128 103.674 2.022 104.284 51.446 -144.373 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.558 ' CB ' ' HB ' ' A' ' 83' ' ' VAL . 71.6 p -119.03 170.51 8.98 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.238 -0.914 . . . . 0.77000000000000002 109.854 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.599 ' CE1' ' HB3' ' A' ' 41' ' ' CYS . 1.4 p90 -160.35 -175.91 5.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.56 -0.712 . . . . 1.3700000000000001 109.881 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.415 ' HB ' ' CB ' ' A' ' 38' ' ' SER . 20.6 p -115.48 146.36 41.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.131 -0.981 . . . . 0.28999999999999998 110.601 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' ASP . 3.8 mm-40 -115.43 85.1 2.21 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.499 -0.751 . . . . 1.98 109.426 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 7.3 m-20 -40.06 145.1 0.17 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.447 -0.783 . . . . 1.1699999999999999 110.896 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 37' ' ' VAL . . . -135.97 175.63 9.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.544 -0.722 . . . . 0.25 109.813 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -135.37 139.45 44.24 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.162 -0.962 . . . . 1.55 110.352 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.894 ' O ' HD13 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -95.61 157.11 16.04 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.273 -0.892 . . . . 1.04 110.1 179.853 -129.936 -90.945 172.177 104.376 2.02 104.101 171.34 -47.951 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.894 HD13 ' O ' ' A' ' 56' ' ' CYS . 16.4 mm -140.28 179.92 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.278 -0.889 . . . . 1.25 110.256 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.645 ' H ' HG22 ' A' ' 57' ' ' ILE . 1.5 t70 -53.6 97.33 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.328 -0.857 . . . . 1.46 110.811 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 4' ' ' SER . . . 51.83 19.16 4.77 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 110.327 -1.109 . . . . 0.54000000000000004 110.327 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.459 ' O ' ' HB ' ' A' ' 57' ' ' ILE . 97.3 m -139.78 146.78 39.9 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.066 -1.255 . . . . 0.5 110.211 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 56' ' ' CYS . 0.4 OUTLIER -158.83 145.7 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.112 -0.993 . . . . 0.56999999999999995 110.26 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.435 ' N ' HG13 ' A' ' 61' ' ' ILE . 4.3 mt-10 -107.52 85.64 2.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.331 -0.855 . . . . 2.2999999999999998 110.12 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.698 HG13 ' HD2' ' A' ' 64' ' ' PRO . 49.3 t -54.39 144.48 41.79 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.276 -0.89 . . . . 1.3100000000000001 110.177 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.698 ' HD2' HG13 ' A' ' 63' ' ' VAL . 3.0 Cg_endo -62.14 126.72 19.32 Favored 'Trans proline' 0 C--N 1.312 -1.382 0 O-C-N 123.637 1.335 . . . . 0.81999999999999995 110.564 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 66' ' ' CYS . 7.4 mtpt -51.0 -50.95 57.52 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.306 -0.871 . . . . 3.7599999999999998 110.378 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 65' ' ' LYS . 42.5 t -42.61 -29.01 0.26 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.274 -0.891 . . . . 1.2 110.229 -179.917 -175.817 -85.508 -125.992 104.223 2.021 104.133 -141.125 -116.956 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.482 ' CG ' ' N ' ' A' ' 68' ' ' LYS . 60.0 t80 -55.1 172.65 0.11 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.303 -0.873 . . . . 1.78 110.222 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.482 ' N ' ' CG ' ' A' ' 67' ' ' PHE . 0.7 OUTLIER -147.84 104.17 3.56 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.345 -0.847 . . . . 5.1699999999999999 109.91 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.563 ' OE1' ' CD2' ' A' ' 70' ' ' HIS . 27.5 tt0 -41.72 -54.36 3.33 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.339 -0.85 . . . . 3.96 110.453 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.563 ' CD2' ' OE1' ' A' ' 69' ' ' GLU . 1.7 p80 -160.12 -35.87 0.05 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.125 -0.984 . . . . 6.0 110.523 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.461 ' O ' ' O ' ' A' ' 72' ' ' SER . 0.6 OUTLIER 46.44 95.53 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.15 -0.968 . . . . 5.0499999999999998 110.082 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.461 ' O ' ' O ' ' A' ' 71' ' ' SER . 19.9 m -55.34 -164.08 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.206 -0.934 . . . . 5.6200000000000001 110.277 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 72' ' ' SER . 0.4 OUTLIER 57.4 71.13 0.6 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.264 -0.897 . . . . 6.5999999999999996 110.29 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.52 91.65 8.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.228 -0.92 . . . . 5.8300000000000001 110.104 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.459 ' O ' ' HG2' ' A' ' 77' ' ' LYS . 1.0 OUTLIER -106.34 -159.58 0.71 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.142 -0.974 . . . . 7.5199999999999996 110.458 -179.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.451 ' O ' ' HB3' ' A' ' 77' ' ' LYS . 0.2 OUTLIER -60.2 94.18 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.306 -0.871 . . . . 8.4600000000000009 110.44 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -178.87 108.41 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.224 -0.922 . . . . 6.9500000000000002 110.206 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.34 140.59 43.15 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.231 -0.918 . . . . 2.2599999999999998 110.171 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.479 ' O ' HG23 ' A' ' 83' ' ' VAL . 68.3 m-20 -66.84 138.05 57.05 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.236 -0.915 . . . . 2.4900000000000002 110.223 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.571 ' CB ' ' CA ' ' A' ' 41' ' ' CYS . . . -42.13 -34.44 0.74 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.368 -0.832 . . . . 0.52000000000000002 110.332 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.461 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . 0.4 OUTLIER -59.73 -13.26 9.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.331 -0.856 . . . . 1.4399999999999999 110.366 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -126.48 29.64 5.72 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.091 -1.006 . . . . 1.3999999999999999 110.468 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.566 ' CG2' ' HA ' ' A' ' 80' ' ' ALA . 3.7 t -114.33 164.65 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.292 -0.88 . . . . 0.55000000000000004 110.165 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -89.81 138.41 27.93 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.246 -0.909 . . . . 3.54 110.03 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.506 ' HA ' ' O ' ' A' ' 49' ' ' SER . 2.9 Cg_endo -61.92 136.4 61.23 Favored 'Trans proline' 0 C--N 1.313 -1.308 0 O-C-N 123.349 1.183 . . . . 0.65000000000000002 110.181 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.502 ' CA ' ' CB ' ' A' ' 48' ' ' CYS . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 117.912 -1.042 . . . . 1.26 110.205 -179.863 -144.373 51.446 20.128 104.284 2.022 103.674 144.93 -25.984 2 2 . 1 stop_ save_