data_1gjt_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 1gjt _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' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.337 -0.616 . . . . 22.98 109.337 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 3' ' ' ALA . 33.6 mtmm -60.01 -37.09 78.68 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.302 -0.874 . . . . 20.300000000000001 109.493 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 2' ' ' LYS . . . -39.95 159.98 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.57 -0.706 . . . . 18.48 110.568 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 82.6 mt -82.7 142.22 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.502 -0.749 . . . . 17.93 110.103 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -60.05 142.65 53.67 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.261 -0.899 . . . . 17.699999999999999 109.086 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.481 ' CG1' ' N ' ' A' ' 7' ' ' LEU . 2.4 p -67.12 -147.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.291 -0.881 . . . . 15.300000000000001 109.582 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.481 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -59.61 135.96 57.84 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.768 -1.208 . . . . 16.149999999999999 108.86 -179.414 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.421 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 11.4 m120 -128.09 155.35 44.54 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.429 -0.794 . . . . 14.359999999999999 109.614 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.87 14.0 9.67 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.352 -0.842 . . . . 12.699999999999999 109.316 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -59.97 -40.02 87.64 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.271 -0.893 . . . . 13.279999999999999 109.597 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.432 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 85.5 t60 -49.42 -67.3 0.28 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.187 -0.946 . . . . 11.539999999999999 109.956 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 11' ' ' HIS . 64.6 m-20 -159.81 174.72 14.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.175 -0.953 . . . . 10.08 109.821 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -83.59 27.97 0.59 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.321 -0.862 . . . . 9.1199999999999992 108.946 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' A' ' 12' ' ' ASP . . . -50.03 -16.7 0.31 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.426 -0.796 . . . . 5.6500000000000004 109.911 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.4 t -90.06 106.54 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.189 -0.944 . . . . 5.46 109.214 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -83.86 -24.59 30.81 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.31 -0.869 . . . . 3.4500000000000002 109.905 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.95 94.1 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.152 -0.967 . . . . 2.4100000000000001 109.811 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -59.99 -41.92 93.11 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.108 -0.995 . . . . 2.3799999999999999 109.683 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.528 ' HG ' ' N ' ' A' ' 20' ' ' LEU . 87.6 p -67.39 -41.14 85.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.272 -0.893 . . . . 1.24 110.131 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.528 ' N ' ' HG ' ' A' ' 19' ' ' SER . 14.1 mt -60.56 -47.87 84.27 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.064 -1.022 . . . . 1.72 109.254 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.78 -49.52 77.15 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.182 -0.949 . . . . 1.05 110.227 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -62.55 -41.13 98.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.004 -1.06 . . . . 1.27 110.126 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.96 95.39 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.11 -0.994 . . . . 1.0600000000000001 109.134 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -69.98 -39.98 75.63 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.268 -0.895 . . . . 1.8100000000000001 109.154 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.38 -45.66 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.32 -0.863 . . . . 1.0800000000000001 109.509 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.75 -39.97 94.51 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.193 -0.942 . . . . 1.4199999999999999 109.961 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.64 -39.7 84.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.146 -0.971 . . . . 1.03 109.426 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -60.01 -38.8 83.72 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.334 -0.854 . . . . 0.28000000000000003 109.47 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.421 ' HG3' HH11 ' A' ' 29' ' ' ARG . 17.3 mmm-85 -59.94 -39.8 86.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.347 -0.846 . . . . 4.29 109.89 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -59.97 -40.02 87.62 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.967 -1.083 . . . . 1.3899999999999999 109.57 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.7 mt -67.38 -42.28 83.63 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.562 -0.903 . . . . 1.1000000000000001 108.562 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -60.05 -43.19 95.56 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 116.076 -0.511 . . . . 1.1399999999999999 110.225 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -66.37 -39.97 89.44 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.909 -1.12 . . . . 2.2000000000000002 109.458 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -70.06 -38.45 75.77 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.249 -0.907 . . . . 1.79 108.993 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.37 33.82 6.66 Favored Glycine 0 N--CA 1.495 2.615 0 N-CA-C 109.912 -1.275 . . . . 0.38 109.912 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.403 HG13 ' H ' ' A' ' 37' ' ' SER . 1.3 t -74.66 179.07 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.225 -1.162 . . . . 1.3300000000000001 108.644 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.403 ' H ' HG13 ' A' ' 36' ' ' VAL . 47.5 t -69.98 150.5 46.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.047 -1.033 . . . . 1.8100000000000001 109.931 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.419 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 51.2 t0 -64.57 -17.85 64.33 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.496 -0.753 . . . . 2.3500000000000001 109.713 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -59.98 -46.4 89.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.222 -0.924 . . . . 2.29 109.841 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -59.96 -40.35 88.74 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.965 -1.085 . . . . 1.4199999999999999 109.773 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -62.46 -43.89 97.72 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.565 -1.272 . . . . 2.5499999999999998 107.565 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -60.37 -39.93 88.98 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.488 -0.93 . . . . 1.97 108.488 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.01 -39.82 87.12 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.436 -0.79 . . . . 1.3200000000000001 109.001 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.7 mm -59.93 -39.98 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.02 -1.05 . . . . 1.1599999999999999 108.192 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -54.71 -31.11 57.59 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.303 -0.873 . . . . 1.46 109.621 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -92.18 2.23 56.73 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.081 -1.012 . . . . 1.95 110.559 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.14 118.64 5.24 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.802 -1.186 . . . . 1.49 108.995 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -69.26 -39.77 78.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.372 -0.83 . . . . 3.3799999999999999 111.052 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.2 t -138.96 161.97 36.03 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.027 -1.045 . . . . 1.5900000000000001 110.944 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.7 -40.0 85.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.662 -0.649 . . . . 1.1799999999999999 110.238 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -51.99 -40.02 60.29 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.934 -1.104 . . . . 2.6400000000000001 108.421 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.58 -32.82 64.18 Favored Glycine 0 N--CA 1.485 1.925 0 N-CA-C 109.208 -1.557 . . . . 0.47999999999999998 109.208 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.24 -49.98 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.068 -1.254 . . . . 1.0700000000000001 110.059 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.44 ' HZ1' ' CB ' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -70.19 -40.06 74.86 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.757 -1.215 . . . . 2.2599999999999998 110.813 -179.328 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.04 -36.39 79.83 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.993 -1.067 . . . . 1.1499999999999999 109.856 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 tp -69.11 -39.98 78.6 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.369 -0.832 . . . . 1.1799999999999999 108.995 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.9 mm -71.79 -39.93 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.617 -1.302 . . . . 1.05 108.18 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -65.94 -41.25 91.53 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.633 -0.667 . . . . 1.1699999999999999 110.37 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -69.98 -38.32 76.0 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.908 -1.12 . . . . 1.04 108.256 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.5 mt -69.98 -41.0 79.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 C-N-CA 119.597 -0.841 . . . . 1.1100000000000001 108.954 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 25.8 mt -67.67 -40.01 84.49 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.206 -0.934 . . . . 1.9099999999999999 108.913 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.72 -31.17 69.02 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.197 -0.939 . . . . 1.0700000000000001 109.397 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.01 -40.0 87.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.347 -0.846 . . . . 1.3600000000000001 109.886 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 26.1 mt -66.65 148.04 98.82 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.153 -0.967 . . . . 1.6200000000000001 109.059 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo . . . . . 0 N--CA 1.494 1.501 0 CA-C-O 118.027 -0.905 . . . . 3.2000000000000002 111.958 179.74 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.337 -0.616 . . . . 22.77 109.337 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 3' ' ' ALA . 33.6 mtmm -60.01 -37.09 78.68 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.302 -0.874 . . . . 20.19 109.493 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 2' ' ' LYS . . . -39.95 159.98 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.57 -0.706 . . . . 18.43 110.568 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 82.6 mt -82.7 142.22 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.502 -0.749 . . . . 17.72 110.103 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -60.05 142.65 53.67 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.261 -0.899 . . . . 17.24 109.086 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.746 HG13 ' N ' ' A' ' 7' ' ' LEU . 2.4 p -67.12 -147.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.291 -0.881 . . . . 15.09 109.582 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.746 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -59.61 135.96 57.84 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.768 -1.208 . . . . 15.83 108.86 -179.414 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.547 ' H ' HD13 ' A' ' 7' ' ' LEU . 11.4 m120 -128.09 155.35 44.54 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.429 -0.794 . . . . 14.06 109.614 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.87 14.0 9.67 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.352 -0.842 . . . . 12.57 109.316 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -59.97 -40.02 87.64 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.271 -0.893 . . . . 12.83 109.597 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.432 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 85.5 t60 -49.42 -67.3 0.28 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.187 -0.946 . . . . 11.05 109.956 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 11' ' ' HIS . 64.6 m-20 -159.81 174.72 14.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.175 -0.953 . . . . 10.08 109.821 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -83.59 27.97 0.59 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.321 -0.862 . . . . 9.12 108.946 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.03 -16.7 0.31 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.426 -0.796 . . . . 5.44 109.911 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.4 t -90.06 106.54 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.189 -0.944 . . . . 5.04 109.214 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -83.86 -24.59 30.81 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.31 -0.869 . . . . 3.45 109.905 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.95 94.1 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.152 -0.967 . . . . 2.03 109.811 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -59.99 -41.92 93.11 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.108 -0.995 . . . . 2.24 109.683 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 87.6 p -67.39 -41.14 85.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.272 -0.893 . . . . 0.8 110.131 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.56 -47.87 84.27 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.064 -1.022 . . . . 1.09 109.254 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.78 -49.52 77.15 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.182 -0.949 . . . . 0.27 110.227 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -62.55 -41.13 98.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.004 -1.06 . . . . 1.27 110.126 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.96 95.39 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.11 -0.994 . . . . 0.23 109.134 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -69.98 -39.98 75.63 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.268 -0.895 . . . . 1.23 109.154 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.38 -45.66 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.32 -0.863 . . . . 0.34 109.509 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.75 -39.97 94.51 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.193 -0.942 . . . . 0.78 109.961 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.64 -39.7 84.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.146 -0.971 . . . . 0.2 109.426 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -60.01 -38.8 83.72 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.334 -0.854 . . . . 0.22 109.47 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.44 ' HG3' HH11 ' A' ' 29' ' ' ARG . 17.3 mmm-85 -59.94 -39.8 86.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.347 -0.846 . . . . 3.73 109.89 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -59.97 -40.02 87.62 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.967 -1.083 . . . . 1.39 109.57 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.7 mt -67.38 -42.28 83.63 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.562 -0.903 . . . . 0.43 108.562 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -60.05 -43.19 95.56 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 116.076 -0.511 . . . . 1.14 110.225 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -66.37 -39.97 89.44 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.909 -1.12 . . . . 1.78 109.458 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -70.06 -38.45 75.77 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.249 -0.907 . . . . 1.25 108.993 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.37 33.82 6.66 Favored Glycine 0 N--CA 1.495 2.615 0 N-CA-C 109.912 -1.275 . . . . 0.36 109.912 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.432 HG12 ' H ' ' A' ' 37' ' ' SER . 1.3 t -74.66 179.07 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.225 -1.162 . . . . 0.71 108.644 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.432 ' H ' HG12 ' A' ' 36' ' ' VAL . 47.5 t -69.98 150.5 46.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.047 -1.033 . . . . 1.56 109.931 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.419 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 51.2 t0 -64.57 -17.85 64.33 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.496 -0.753 . . . . 2.35 109.713 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -59.98 -46.4 89.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.222 -0.924 . . . . 1.51 109.841 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -59.96 -40.35 88.74 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.965 -1.085 . . . . 0.94 109.773 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -62.46 -43.89 97.72 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.565 -1.272 . . . . 2.14 107.565 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -60.37 -39.93 88.98 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.488 -0.93 . . . . 1.16 108.488 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.492 HD23 HD21 ' A' ' 56' ' ' LEU . 57.2 tp -60.01 -39.82 87.12 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.436 -0.79 . . . . 0.63 109.001 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.7 mm -59.93 -39.98 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.02 -1.05 . . . . 0.38 108.192 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -54.71 -31.11 57.59 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.303 -0.873 . . . . 1.46 109.621 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -92.18 2.23 56.73 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.081 -1.012 . . . . 1.22 110.559 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.14 118.64 5.24 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.802 -1.186 . . . . 1.49 108.995 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -69.26 -39.77 78.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.372 -0.83 . . . . 2.97 111.052 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.472 HG23 ' H ' ' A' ' 52' ' ' GLY . 12.2 t -138.96 161.97 36.03 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.027 -1.045 . . . . 1.59 110.944 -178.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.7 -40.0 85.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.662 -0.649 . . . . 0.47 110.238 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -51.99 -40.02 60.29 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.934 -1.104 . . . . 2.64 108.421 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.472 ' H ' HG23 ' A' ' 49' ' ' THR . . . -71.58 -32.82 64.18 Favored Glycine 0 N--CA 1.485 1.925 0 N-CA-C 109.208 -1.557 . . . . 0.41 109.208 178.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.24 -49.98 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.068 -1.254 . . . . 0.22 110.059 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.19 -40.06 74.86 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.757 -1.215 . . . . 1.73 110.813 -179.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.04 -36.39 79.83 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.993 -1.067 . . . . 0.3 109.856 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.492 HD21 HD23 ' A' ' 43' ' ' LEU . 54.5 tp -69.11 -39.98 78.6 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.369 -0.832 . . . . 0.46 108.995 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.9 mm -71.79 -39.93 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.617 -1.302 . . . . 0.23 108.18 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -65.94 -41.25 91.53 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.633 -0.667 . . . . 1.17 110.37 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.419 ' OE2' HD12 ' A' ' 56' ' ' LEU . 16.1 pt-20 -69.98 -38.32 76.0 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.908 -1.12 . . . . 1.04 108.256 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.5 mt -69.98 -41.0 79.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 C-N-CA 119.597 -0.841 . . . . 0.33 108.954 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 25.8 mt -67.67 -40.01 84.49 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.206 -0.934 . . . . 1.27 108.913 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.72 -31.17 69.02 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.197 -0.939 . . . . 0.48 109.397 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.01 -40.0 87.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.347 -0.846 . . . . 1.15 109.886 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 26.1 mt -66.65 148.04 98.82 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.153 -0.967 . . . . 1.62 109.059 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo . . . . . 0 N--CA 1.494 1.501 0 CA-C-O 118.027 -0.905 . . . . 3.05 111.958 179.74 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.337 -0.616 . . . . 22.77 109.337 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 3' ' ' ALA . 33.6 mtmm -60.01 -37.09 78.68 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.302 -0.874 . . . . 20.19 109.493 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 2' ' ' LYS . . . -39.95 159.98 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.57 -0.706 . . . . 18.43 110.568 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 82.6 mt -82.7 142.22 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.502 -0.749 . . . . 17.72 110.103 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -60.05 142.65 53.67 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.261 -0.899 . . . . 17.24 109.086 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.746 HG13 ' N ' ' A' ' 7' ' ' LEU . 2.4 p -67.12 -147.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.291 -0.881 . . . . 15.09 109.582 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.746 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -59.61 135.96 57.84 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.768 -1.208 . . . . 15.83 108.86 -179.414 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.547 ' H ' HD13 ' A' ' 7' ' ' LEU . 11.4 m120 -128.09 155.35 44.54 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.429 -0.794 . . . . 14.06 109.614 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.87 14.0 9.67 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.352 -0.842 . . . . 12.57 109.316 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -59.97 -40.02 87.64 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.271 -0.893 . . . . 12.83 109.597 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.432 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 85.5 t60 -49.42 -67.3 0.28 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.187 -0.946 . . . . 11.05 109.956 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 11' ' ' HIS . 64.6 m-20 -159.81 174.72 14.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.175 -0.953 . . . . 10.08 109.821 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -83.59 27.97 0.59 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.321 -0.862 . . . . 9.12 108.946 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.03 -16.7 0.31 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.426 -0.796 . . . . 5.44 109.911 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.4 t -90.06 106.54 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.189 -0.944 . . . . 5.04 109.214 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -83.86 -24.59 30.81 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.31 -0.869 . . . . 3.45 109.905 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.95 94.1 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.152 -0.967 . . . . 2.03 109.811 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -59.99 -41.92 93.11 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.108 -0.995 . . . . 2.24 109.683 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 87.6 p -67.39 -41.14 85.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.272 -0.893 . . . . 0.8 110.131 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.56 -47.87 84.27 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.064 -1.022 . . . . 1.09 109.254 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.78 -49.52 77.15 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.182 -0.949 . . . . 0.27 110.227 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -62.55 -41.13 98.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.004 -1.06 . . . . 1.27 110.126 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.96 95.39 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.11 -0.994 . . . . 0.23 109.134 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -69.98 -39.98 75.63 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.268 -0.895 . . . . 1.23 109.154 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.38 -45.66 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.32 -0.863 . . . . 0.34 109.509 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.75 -39.97 94.51 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.193 -0.942 . . . . 0.78 109.961 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.64 -39.7 84.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.146 -0.971 . . . . 0.2 109.426 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -60.01 -38.8 83.72 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.334 -0.854 . . . . 0.22 109.47 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.44 ' HG3' HH11 ' A' ' 29' ' ' ARG . 17.3 mmm-85 -59.94 -39.8 86.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.347 -0.846 . . . . 3.73 109.89 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -59.97 -40.02 87.62 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.967 -1.083 . . . . 1.39 109.57 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.7 mt -67.38 -42.28 83.63 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.562 -0.903 . . . . 0.43 108.562 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -60.05 -43.19 95.56 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 116.076 -0.511 . . . . 1.14 110.225 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -66.37 -39.97 89.44 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.909 -1.12 . . . . 1.78 109.458 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -70.06 -38.45 75.77 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.249 -0.907 . . . . 1.25 108.993 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.37 33.82 6.66 Favored Glycine 0 N--CA 1.495 2.615 0 N-CA-C 109.912 -1.275 . . . . 0.36 109.912 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.432 HG12 ' H ' ' A' ' 37' ' ' SER . 1.3 t -74.66 179.07 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.225 -1.162 . . . . 0.71 108.644 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.432 ' H ' HG12 ' A' ' 36' ' ' VAL . 47.5 t -69.98 150.5 46.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.047 -1.033 . . . . 1.56 109.931 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.419 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 51.2 t0 -64.57 -17.85 64.33 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.496 -0.753 . . . . 2.35 109.713 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -59.98 -46.4 89.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.222 -0.924 . . . . 1.51 109.841 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -59.96 -40.35 88.74 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.965 -1.085 . . . . 0.94 109.773 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -62.46 -43.89 97.72 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.565 -1.272 . . . . 2.14 107.565 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -60.37 -39.93 88.98 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.488 -0.93 . . . . 1.16 108.488 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.492 HD23 HD21 ' A' ' 56' ' ' LEU . 57.2 tp -60.01 -39.82 87.12 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.436 -0.79 . . . . 0.63 109.001 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.7 mm -59.93 -39.98 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.02 -1.05 . . . . 0.38 108.192 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -54.71 -31.11 57.59 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.303 -0.873 . . . . 1.46 109.621 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -92.18 2.23 56.73 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.081 -1.012 . . . . 1.22 110.559 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.14 118.64 5.24 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.802 -1.186 . . . . 1.49 108.995 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -69.26 -39.77 78.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.372 -0.83 . . . . 2.97 111.052 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.472 HG23 ' H ' ' A' ' 52' ' ' GLY . 12.2 t -138.96 161.97 36.03 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.027 -1.045 . . . . 1.59 110.944 -178.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.7 -40.0 85.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.662 -0.649 . . . . 0.47 110.238 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -51.99 -40.02 60.29 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.934 -1.104 . . . . 2.64 108.421 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.472 ' H ' HG23 ' A' ' 49' ' ' THR . . . -71.58 -32.82 64.18 Favored Glycine 0 N--CA 1.485 1.925 0 N-CA-C 109.208 -1.557 . . . . 0.41 109.208 178.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.24 -49.98 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.068 -1.254 . . . . 0.22 110.059 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.19 -40.06 74.86 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.757 -1.215 . . . . 1.73 110.813 -179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.04 -36.39 79.83 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.993 -1.067 . . . . 0.3 109.856 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.492 HD21 HD23 ' A' ' 43' ' ' LEU . 54.5 tp -69.11 -39.98 78.6 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.369 -0.832 . . . . 0.46 108.995 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.9 mm -71.79 -39.93 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.617 -1.302 . . . . 0.23 108.18 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -65.94 -41.25 91.53 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.633 -0.667 . . . . 1.17 110.37 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.419 ' OE2' HD12 ' A' ' 56' ' ' LEU . 16.1 pt-20 -69.98 -38.32 76.0 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.908 -1.12 . . . . 1.04 108.256 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.5 mt -69.98 -41.0 79.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 C-N-CA 119.597 -0.841 . . . . 0.33 108.954 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 25.8 mt -67.67 -40.01 84.49 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.206 -0.934 . . . . 1.27 108.913 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.72 -31.17 69.02 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.197 -0.939 . . . . 0.48 109.397 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.01 -40.0 87.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.347 -0.846 . . . . 1.15 109.886 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 26.1 mt -66.65 148.04 98.82 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.153 -0.967 . . . . 1.62 109.059 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo . . . . . 0 N--CA 1.494 1.501 0 CA-C-O 118.027 -0.905 . . . . 3.05 111.958 179.74 . . . . . . . . 0 0 . 1 stop_ save_