data_1ji9_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 1ji9 _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 ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.195 0.521 . . . . 5.0300000000000002 110.339 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.545 ' O ' ' N ' ' A' ' 35' ' ' CYS . 7.0 m -54.33 -20.26 6.92 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.232 -0.917 . . . . 2.0499999999999998 110.012 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.554 ' O ' ' SG ' ' A' ' 35' ' ' CYS . 13.8 p 35.46 26.23 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.96 0 O-C-N 122.146 -0.346 . . . . 1.49 111.828 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.554 ' SG ' ' O ' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -176.44 160.32 2.06 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 117.86 -1.536 . . . . 1.5 113.787 -177.815 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' A' ' 59' ' ' ALA . 0.5 OUTLIER -101.3 -13.07 18.19 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 106.462 -1.681 . . . . 1.3300000000000001 106.462 175.482 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.559 ' HA ' ' HA ' ' A' ' 63' ' ' LYS . 0.8 OUTLIER -106.0 -1.65 23.72 Favored 'General case' 0 N--CA 1.498 1.966 0 CA-C-O 121.781 0.8 . . . . 0.89000000000000001 110.243 178.501 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.549 ' HB2' ' CB ' ' A' ' 35' ' ' CYS 0.26 81.4 m -141.15 156.5 67.88 Favored Pre-proline 0 C--N 1.296 -1.745 0 O-C-N 121.786 -0.571 . . . . 0.90000000000000002 111.507 -179.259 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.562 ' HD2' ' HB2' ' A' ' 42' ' ' CYS . 48.1 Cg_endo -92.06 -171.92 0.39 Allowed 'Trans proline' 0 C--N 1.301 -1.948 0 O-C-N 124.334 1.702 . . . . 0.52000000000000002 108.412 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.465 ' CA ' ' HA ' ' A' ' 33' ' ' SER . . . -83.14 3.38 30.99 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.908 -1.12 . . . . 1.3 109.899 179.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -107.39 -8.52 30.77 Favored Glycine 0 N--CA 1.488 2.16 0 C-N-CA 120.011 -1.09 . . . . 0.41999999999999998 110.774 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.568 ' HB3' ' HB2' ' A' ' 45' ' ' CYS . 2.2 t -48.95 107.49 0.14 Allowed 'General case' 0 C--N 1.309 -1.176 0 O-C-N 120.555 -1.556 . . . . 0.91000000000000003 110.478 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.583 ' HA ' ' CB ' ' A' ' 46' ' ' ALA . 1.5 mt-10 -75.52 -6.67 51.39 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 118.626 -1.229 . . . . 1.54 108.845 178.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.6 ' HG3' ' CA ' ' A' ' 67' ' ' CYS 0.288 26.3 mmmt -73.91 -26.12 60.36 Favored 'General case' 0 C--N 1.287 -2.123 0 N-CA-C 106.842 -1.54 . . . . 1.78 106.842 176.746 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.568 ' HB2' ' HB3' ' A' ' 42' ' ' CYS 0.25 4.6 m -105.24 -5.23 20.8 Favored 'General case' 0 C--N 1.281 -2.41 0 CA-C-N 113.793 -1.549 . . . . 0.72999999999999998 109.392 -178.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.583 ' CB ' ' HA ' ' A' ' 43' ' ' GLU 0.26 . . -65.27 -6.38 9.55 Favored 'General case' 0 C--N 1.285 -2.215 0 CA-C-N 115.072 -0.967 . . . . 1.0800000000000001 111.1 -179.311 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 48' ' ' ASP . 6.8 tmtm? -98.98 -43.93 6.51 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 122.094 0.95 . . . . 3.3900000000000001 109.634 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.468 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 39.0 t0 178.51 41.43 0.0 OUTLIER 'General case' 0 C--N 1.289 -2.038 0 CA-C-O 121.71 0.767 . . . . 1.29 109.199 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.537 ' HB3' ' CG ' ' A' ' 52' ' ' LYS . 8.4 t 55.02 88.05 0.04 OUTLIER 'General case' 0 C--N 1.298 -1.643 0 C-N-CA 119.807 -0.757 . . . . 1.02 109.246 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.597 ' CG1' ' O ' ' A' ' 44' ' ' LYS . 2.0 m -58.24 -22.01 18.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.589 -0.694 . . . . 1.26 111.11 -178.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -101.42 13.28 35.51 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.87 -1.144 . . . . 1.27 110.263 179.229 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.537 ' CG ' ' HB3' ' A' ' 49' ' ' CYS . 1.6 mmtt -42.34 -33.04 0.58 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.136 -0.978 . . . . 2.6299999999999999 110.661 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.85 103.66 0.35 Allowed Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.64 -1.384 . . . . 1.55 109.64 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.36 45.94 1.29 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.228 -1.16 . . . . 3.1699999999999999 109.917 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.461 ' O ' ' HD2' ' A' ' 58' ' ' LYS . 27.8 mm-40 -94.81 -99.25 0.16 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.708 -0.62 . . . . 2.8500000000000001 109.639 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -94.19 -5.68 62.05 Favored Glycine 0 N--CA 1.487 2.038 0 N-CA-C 108.841 -1.704 . . . . 2.2200000000000002 108.841 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 58' ' ' LYS . . . -88.19 40.09 0.93 Allowed 'General case' 0 N--CA 1.484 1.232 0 O-C-N 121.406 -1.055 . . . . 2.3300000000000001 110.677 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.461 ' HD2' ' O ' ' A' ' 55' ' ' GLU . 0.7 OUTLIER -38.74 132.69 1.17 Allowed 'General case' 0 C--N 1.283 -2.31 0 CA-C-N 115.806 -0.633 . . . . 4.5899999999999999 110.966 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.46 ' O ' ' HB3' ' A' ' 36' ' ' SER . . . -85.14 -34.73 22.08 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.409 -0.807 . . . . 1.5700000000000001 109.86 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 62' ' ' GLU . 11.8 pt-20 -40.46 -33.65 0.28 Allowed 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 122.535 1.159 . . . . 2.0699999999999998 109.349 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.594 ' O ' ' CB ' ' A' ' 62' ' ' GLU . . . -38.54 -25.93 0.01 OUTLIER 'General case' 0 C--N 1.284 -2.271 0 CA-C-N 114.722 -1.126 . . . . 1.3700000000000001 110.549 178.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.594 ' CB ' ' O ' ' A' ' 61' ' ' ALA . 3.8 mt-10 89.79 -21.06 0.13 Allowed 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.952 0.882 . . . . 1.8899999999999999 109.502 -178.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.58 ' C ' ' CD ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -158.21 155.2 28.57 Favored 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 108.992 -0.744 . . . . 1.8100000000000001 108.992 179.188 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.503 ' N ' ' HB2' ' A' ' 37' ' ' CYS . 3.4 p -118.51 -165.93 1.17 Allowed 'General case' 0 C--N 1.29 -1.991 0 O-C-N 121.172 -0.955 . . . . 0.94999999999999996 111.417 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.6 t -133.3 20.98 4.01 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.559 -0.713 . . . . 1.0900000000000001 110.816 -178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.78 -43.49 4.68 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.972 -1.08 . . . . 1.1100000000000001 109.917 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.6 ' CA ' ' HG3' ' A' ' 44' ' ' LYS . 65.4 m -78.19 -41.22 35.24 Favored 'General case' 0 C--N 1.284 -2.245 0 CA-C-O 121.977 0.894 . . . . 1.02 110.332 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 67' ' ' CYS . 6.6 mm-40 . . . . . 0 C--N 1.29 -2.015 0 CA-C-O 117.937 -1.03 . . . . 1.73 110.582 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.195 0.521 . . . . 4.54 110.339 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.545 ' O ' ' N ' ' A' ' 35' ' ' CYS . 7.0 m -54.33 -20.26 6.92 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.232 -0.917 . . . . 1.93 110.012 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.554 ' O ' ' SG ' ' A' ' 35' ' ' CYS . 13.8 p 35.46 26.23 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.96 0 O-C-N 122.146 -0.346 . . . . 0.84 111.828 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.554 ' SG ' ' O ' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -176.44 160.32 2.06 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 117.86 -1.536 . . . . 0.77 113.787 -177.815 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.525 ' H ' ' HB1' ' A' ' 59' ' ' ALA . 0.5 OUTLIER -101.3 -13.07 18.19 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 106.462 -1.681 . . . . 0.88 106.462 175.482 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.55 ' HA ' ' HA ' ' A' ' 63' ' ' LYS . 0.8 OUTLIER -106.0 -1.65 23.72 Favored 'General case' 0 N--CA 1.498 1.966 0 CA-C-O 121.781 0.8 . . . . 0.4 110.243 178.501 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.543 ' HB2' ' CB ' ' A' ' 35' ' ' CYS 0.26 81.4 m -141.15 156.5 67.88 Favored Pre-proline 0 C--N 1.296 -1.745 0 O-C-N 121.786 -0.571 . . . . 0.32 111.507 -179.259 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.574 ' HD2' ' HB2' ' A' ' 42' ' ' CYS . 48.1 Cg_endo -92.06 -171.92 0.39 Allowed 'Trans proline' 0 C--N 1.301 -1.948 0 O-C-N 124.334 1.702 . . . . 0.42 108.412 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.453 ' CA ' ' HA ' ' A' ' 33' ' ' SER . . . -83.14 3.38 30.99 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.908 -1.12 . . . . 0.61 109.899 179.154 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -107.39 -8.52 30.77 Favored Glycine 0 N--CA 1.488 2.16 0 C-N-CA 120.011 -1.09 . . . . 0.37 110.774 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.585 ' HB3' ' HB2' ' A' ' 45' ' ' CYS . 2.2 t -48.95 107.49 0.14 Allowed 'General case' 0 C--N 1.309 -1.176 0 O-C-N 120.555 -1.556 . . . . 0.33 110.478 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.821 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 1.5 mt-10 -75.52 -6.67 51.39 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 118.626 -1.229 . . . . 1.54 108.845 178.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.782 ' O ' HG13 ' A' ' 50' ' ' VAL 0.288 26.3 mmmt -73.91 -26.12 60.36 Favored 'General case' 0 C--N 1.287 -2.123 0 N-CA-C 106.842 -1.54 . . . . 1.21 106.842 176.746 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.585 ' HB2' ' HB3' ' A' ' 42' ' ' CYS 0.25 4.6 m -105.24 -5.23 20.8 Favored 'General case' 0 C--N 1.281 -2.41 0 CA-C-N 113.793 -1.549 . . . . 0.29 109.392 -178.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.821 ' HB2' ' HA ' ' A' ' 43' ' ' GLU 0.26 . . -65.27 -6.38 9.55 Favored 'General case' 0 C--N 1.285 -2.215 0 CA-C-N 115.072 -0.967 . . . . 0.36 111.1 -179.311 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 48' ' ' ASP . 6.8 tmtm? -98.98 -43.93 6.51 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 122.094 0.95 . . . . 2.74 109.634 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 39.0 t0 178.51 41.43 0.0 OUTLIER 'General case' 0 C--N 1.289 -2.038 0 CA-C-O 121.71 0.767 . . . . 1.29 109.199 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.547 ' HB3' ' CG ' ' A' ' 52' ' ' LYS . 8.4 t 55.02 88.05 0.04 OUTLIER 'General case' 0 C--N 1.298 -1.643 0 C-N-CA 119.807 -0.757 . . . . 0.47 109.246 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.782 HG13 ' O ' ' A' ' 44' ' ' LYS . 2.0 m -58.24 -22.01 18.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.589 -0.694 . . . . 0.53 111.11 -178.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -101.42 13.28 35.51 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.87 -1.144 . . . . 1.07 110.263 179.229 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.547 ' CG ' ' HB3' ' A' ' 49' ' ' CYS . 1.6 mmtt -42.34 -33.04 0.58 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.136 -0.978 . . . . 2.2 110.661 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.85 103.66 0.35 Allowed Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.64 -1.384 . . . . 1.17 109.64 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.36 45.94 1.29 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.228 -1.16 . . . . 3.17 109.917 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.462 ' O ' ' HD2' ' A' ' 58' ' ' LYS . 27.8 mm-40 -94.81 -99.25 0.16 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.708 -0.62 . . . . 2.85 109.639 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -94.19 -5.68 62.05 Favored Glycine 0 N--CA 1.487 2.038 0 N-CA-C 108.841 -1.704 . . . . 2.18 108.841 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 58' ' ' LYS . . . -88.19 40.09 0.93 Allowed 'General case' 0 N--CA 1.484 1.232 0 O-C-N 121.406 -1.055 . . . . 1.93 110.677 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.462 ' HD2' ' O ' ' A' ' 55' ' ' GLU . 0.7 OUTLIER -38.74 132.69 1.17 Allowed 'General case' 0 C--N 1.283 -2.31 0 CA-C-N 115.806 -0.633 . . . . 4.07 110.966 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.525 ' HB1' ' H ' ' A' ' 36' ' ' SER . . . -85.14 -34.73 22.08 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.409 -0.807 . . . . 1.11 109.86 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 62' ' ' GLU . 11.8 pt-20 -40.46 -33.65 0.28 Allowed 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 122.535 1.159 . . . . 2.07 109.349 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.594 ' O ' ' CB ' ' A' ' 62' ' ' GLU . . . -38.54 -25.93 0.01 OUTLIER 'General case' 0 C--N 1.284 -2.271 0 CA-C-N 114.722 -1.126 . . . . 0.65 110.549 178.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.594 ' CB ' ' O ' ' A' ' 61' ' ' ALA . 3.8 mt-10 89.79 -21.06 0.13 Allowed 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.952 0.882 . . . . 1.89 109.502 -178.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.58 ' CD ' ' C ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -158.21 155.2 28.57 Favored 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 108.992 -0.744 . . . . 1.16 108.992 179.188 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.533 ' N ' ' HB2' ' A' ' 37' ' ' CYS . 3.4 p -118.51 -165.93 1.17 Allowed 'General case' 0 C--N 1.29 -1.991 0 O-C-N 121.172 -0.955 . . . . 0.57 111.417 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.6 t -133.3 20.98 4.01 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.559 -0.713 . . . . 0.78 110.816 -178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.78 -43.49 4.68 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.972 -1.08 . . . . 1.11 109.917 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.606 ' CA ' ' HG3' ' A' ' 44' ' ' LYS . 65.4 m -78.19 -41.22 35.24 Favored 'General case' 0 C--N 1.284 -2.245 0 CA-C-O 121.977 0.894 . . . . 1.02 110.332 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 64' ' ' CYS . 6.6 mm-40 . . . . . 0 C--N 1.29 -2.015 0 CA-C-O 117.937 -1.03 . . . . 1.73 110.582 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.195 0.521 . . . . 4.54 110.339 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.545 ' O ' ' N ' ' A' ' 35' ' ' CYS . 7.0 m -54.33 -20.26 6.92 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.232 -0.917 . . . . 1.9299999999999999 110.012 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.554 ' O ' ' SG ' ' A' ' 35' ' ' CYS . 13.8 p 35.46 26.23 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.96 0 O-C-N 122.146 -0.346 . . . . 0.83999999999999997 111.828 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.554 ' SG ' ' O ' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -176.44 160.32 2.06 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 117.86 -1.536 . . . . 0.77000000000000002 113.787 -177.815 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.525 ' H ' ' HB1' ' A' ' 59' ' ' ALA . 0.5 OUTLIER -101.3 -13.07 18.19 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 106.462 -1.681 . . . . 0.88 106.462 175.482 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.55 ' HA ' ' HA ' ' A' ' 63' ' ' LYS . 0.8 OUTLIER -106.0 -1.65 23.72 Favored 'General case' 0 N--CA 1.498 1.966 0 CA-C-O 121.781 0.8 . . . . 0.40000000000000002 110.243 178.501 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.543 ' HB2' ' CB ' ' A' ' 35' ' ' CYS 0.26 81.4 m -141.15 156.5 67.88 Favored Pre-proline 0 C--N 1.296 -1.745 0 O-C-N 121.786 -0.571 . . . . 0.32000000000000001 111.507 -179.259 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.574 ' HD2' ' HB2' ' A' ' 42' ' ' CYS . 48.1 Cg_endo -92.06 -171.92 0.39 Allowed 'Trans proline' 0 C--N 1.301 -1.948 0 O-C-N 124.334 1.702 . . . . 0.41999999999999998 108.412 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.453 ' CA ' ' HA ' ' A' ' 33' ' ' SER . . . -83.14 3.38 30.99 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.908 -1.12 . . . . 0.60999999999999999 109.899 179.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -107.39 -8.52 30.77 Favored Glycine 0 N--CA 1.488 2.16 0 C-N-CA 120.011 -1.09 . . . . 0.37 110.774 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.585 ' HB3' ' HB2' ' A' ' 45' ' ' CYS . 2.2 t -48.95 107.49 0.14 Allowed 'General case' 0 C--N 1.309 -1.176 0 O-C-N 120.555 -1.556 . . . . 0.33000000000000002 110.478 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.821 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 1.5 mt-10 -75.52 -6.67 51.39 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 118.626 -1.229 . . . . 1.54 108.845 178.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.782 ' O ' HG13 ' A' ' 50' ' ' VAL 0.288 26.3 mmmt -73.91 -26.12 60.36 Favored 'General case' 0 C--N 1.287 -2.123 0 N-CA-C 106.842 -1.54 . . . . 1.21 106.842 176.746 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.585 ' HB2' ' HB3' ' A' ' 42' ' ' CYS 0.25 4.6 m -105.24 -5.23 20.8 Favored 'General case' 0 C--N 1.281 -2.41 0 CA-C-N 113.793 -1.549 . . . . 0.28999999999999998 109.392 -178.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.821 ' HB2' ' HA ' ' A' ' 43' ' ' GLU 0.26 . . -65.27 -6.38 9.55 Favored 'General case' 0 C--N 1.285 -2.215 0 CA-C-N 115.072 -0.967 . . . . 0.35999999999999999 111.1 -179.311 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 48' ' ' ASP . 6.8 tmtm? -98.98 -43.93 6.51 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 122.094 0.95 . . . . 2.7400000000000002 109.634 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 39.0 t0 178.51 41.43 0.0 OUTLIER 'General case' 0 C--N 1.289 -2.038 0 CA-C-O 121.71 0.767 . . . . 1.29 109.199 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.547 ' HB3' ' CG ' ' A' ' 52' ' ' LYS . 8.4 t 55.02 88.05 0.04 OUTLIER 'General case' 0 C--N 1.298 -1.643 0 C-N-CA 119.807 -0.757 . . . . 0.46999999999999997 109.246 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.782 HG13 ' O ' ' A' ' 44' ' ' LYS . 2.0 m -58.24 -22.01 18.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.589 -0.694 . . . . 0.53000000000000003 111.11 -178.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -101.42 13.28 35.51 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.87 -1.144 . . . . 1.0700000000000001 110.263 179.229 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.547 ' CG ' ' HB3' ' A' ' 49' ' ' CYS . 1.6 mmtt -42.34 -33.04 0.58 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.136 -0.978 . . . . 2.2000000000000002 110.661 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.85 103.66 0.35 Allowed Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.64 -1.384 . . . . 1.1699999999999999 109.64 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.36 45.94 1.29 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.228 -1.16 . . . . 3.1699999999999999 109.917 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.462 ' O ' ' HD2' ' A' ' 58' ' ' LYS . 27.8 mm-40 -94.81 -99.25 0.16 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.708 -0.62 . . . . 2.8500000000000001 109.639 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -94.19 -5.68 62.05 Favored Glycine 0 N--CA 1.487 2.038 0 N-CA-C 108.841 -1.704 . . . . 2.1800000000000002 108.841 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 58' ' ' LYS . . . -88.19 40.09 0.93 Allowed 'General case' 0 N--CA 1.484 1.232 0 O-C-N 121.406 -1.055 . . . . 1.9299999999999999 110.677 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.462 ' HD2' ' O ' ' A' ' 55' ' ' GLU . 0.7 OUTLIER -38.74 132.69 1.17 Allowed 'General case' 0 C--N 1.283 -2.31 0 CA-C-N 115.806 -0.633 . . . . 4.0700000000000003 110.966 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.525 ' HB1' ' H ' ' A' ' 36' ' ' SER . . . -85.14 -34.73 22.08 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.409 -0.807 . . . . 1.1100000000000001 109.86 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 62' ' ' GLU . 11.8 pt-20 -40.46 -33.65 0.28 Allowed 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 122.535 1.159 . . . . 2.0699999999999998 109.349 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.594 ' O ' ' CB ' ' A' ' 62' ' ' GLU . . . -38.54 -25.93 0.01 OUTLIER 'General case' 0 C--N 1.284 -2.271 0 CA-C-N 114.722 -1.126 . . . . 0.65000000000000002 110.549 178.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.594 ' CB ' ' O ' ' A' ' 61' ' ' ALA . 3.8 mt-10 89.79 -21.06 0.13 Allowed 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.952 0.882 . . . . 1.8899999999999999 109.502 -178.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.58 ' C ' ' CD ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -158.21 155.2 28.57 Favored 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 108.992 -0.744 . . . . 1.1599999999999999 108.992 179.188 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.533 ' N ' ' HB2' ' A' ' 37' ' ' CYS . 3.4 p -118.51 -165.93 1.17 Allowed 'General case' 0 C--N 1.29 -1.991 0 O-C-N 121.172 -0.955 . . . . 0.56999999999999995 111.417 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.6 t -133.3 20.98 4.01 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.559 -0.713 . . . . 0.78000000000000003 110.816 -178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.78 -43.49 4.68 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.972 -1.08 . . . . 1.1100000000000001 109.917 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.606 ' CA ' ' HG3' ' A' ' 44' ' ' LYS . 65.4 m -78.19 -41.22 35.24 Favored 'General case' 0 C--N 1.284 -2.245 0 CA-C-O 121.977 0.894 . . . . 1.02 110.332 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 64' ' ' CYS . 6.6 mm-40 . . . . . 0 C--N 1.29 -2.015 0 CA-C-O 117.937 -1.03 . . . . 1.73 110.582 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_