data_2jnr_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 2jnr _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.5 tt . . . . . 0 N--CA 1.428 -1.562 0 CA-C-O 114.674 -2.584 . . . . 0.23000000000000001 110.911 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -75.54 -41.79 54.12 Favored 'General case' 0 CA--C 1.446 -3.028 0 C-N-CA 118.455 -1.298 . . . . 0.23000000000000001 113.874 167.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.03 -50.4 58.64 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 126.016 1.726 . . . . 0.23000000000000001 113.649 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.267 4.2 tt -160.7 110.84 1.32 Allowed Pre-proline 0 C--N 1.368 1.387 1 CA-C-O 111.364 -4.16 . . . . 0.23999999999999999 112.606 -178.404 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -83.87 34.56 0.53 Allowed 'Trans proline' 0 N--CA 1.431 -2.148 0 CA-C-N 125.083 2.851 . . . . 0.23000000000000001 118.466 -175.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.4 m -168.27 -92.15 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.207 1 CA-C-O 111.129 -4.272 . . . . 0.23000000000000001 109.55 -166.281 -66.203 -166.925 -57.699 97.031 2.034 102.592 -170.136 -77.006 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . 0.405 19.3 m 93.54 -47.27 0.01 OUTLIER 'General case' 0 C--N 1.368 1.379 0 CA-C-N 123.352 2.797 . . . . 0.23999999999999999 109.016 -173.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.283 84.0 mt -95.0 -82.2 0.02 OUTLIER Pre-proline 0 C--O 1.206 -1.218 0 CA-C-O 113.35 -3.214 . . . . 0.23999999999999999 108.791 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -58.52 162.35 12.65 Favored 'Trans proline' 0 N--CA 1.493 1.495 1 CA-C-N 128.507 4.074 . . . . 0.23999999999999999 111.607 -167.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -62.45 94.8 0.14 Allowed 'Trans proline' 0 N--CA 1.419 -2.882 0 O-C-N 114.81 -3.31 . . . . 0.23000000000000001 110.972 -175.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.3 m -118.49 159.03 24.24 Favored 'General case' 0 C--N 1.369 1.45 0 CA-C-O 114.782 -2.532 . . . . 0.23000000000000001 109.357 -175.782 -77.006 -170.136 -57.699 102.592 2.034 97.031 -166.925 -66.203 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -148.81 59.66 1.06 Allowed 'General case' 0 C--N 1.383 2.05 0 CA-C-O 114.861 -2.495 . . . . 0.23000000000000001 104.346 -177.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.482 ' O ' ' CD1' ' A' ' 14' ' ' PHE 0.302 . . 91.12 -46.54 0.02 OUTLIER 'General case' 1 N--CA 1.554 4.743 0 O-C-N 126.128 2.143 . . . . 0.23000000000000001 114.955 177.629 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 13' ' ' ALA 0.277 28.9 m-85 -150.88 39.19 0.69 Allowed 'General case' 0 C--O 1.186 -2.263 0 O-C-N 117.994 -2.941 . . . . 0.23000000000000001 110.808 -177.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -99.11 -65.53 0.96 Allowed 'General case' 0 C--N 1.368 1.398 0 CA-C-O 114.467 -2.683 . . . . 0.23000000000000001 103.957 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.4 tptt 44.59 71.48 1.5 Allowed Pre-proline 0 C--N 1.425 3.857 1 CA-C-N 126.281 4.128 . . . . 0.23999999999999999 107.894 -163.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -50.42 151.34 10.08 Favored 'Trans proline' 0 N--CA 1.492 1.437 1 N-CA-C 122.821 4.123 . . . . 0.23000000000000001 122.821 -156.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.259 49.5 m-85 -156.33 82.92 0.98 Allowed 'General case' 0 C--O 1.196 -1.746 0 N-CA-C 100.432 -3.914 . . . . 0.23000000000000001 100.432 170.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . 0.401 16.2 t -145.67 151.62 14.72 Favored 'Isoleucine or valine' 0 C--N 1.383 2.065 0 N-CA-C 114.205 1.187 . . . . 0.23000000000000001 114.205 -0.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.0 t80 . . . . . 0 CA--C 1.575 1.914 0 CA-C-O 124.37 2.033 . . . . 0.28000000000000003 111.14 -170.783 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.117 0 N-CA-C 102.262 -3.236 . . . . 0.23000000000000001 102.262 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 8.7 p -54.79 -48.37 73.44 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.008 0 CA-C-O 125.034 2.35 . . . . 0.23000000000000001 105.593 -175.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 152.18 -119.15 0.95 Allowed Glycine 0 CA--C 1.567 3.284 0 O-C-N 117.17 -3.456 . . . . 0.23000000000000001 116.167 -168.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 16.5 mm -78.08 150.15 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.306 0 CA-C-N 121.77 2.785 . . . . 0.23000000000000001 106.011 170.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 104.33 -63.71 0.35 Allowed Glycine 0 C--N 1.343 0.951 1 CA-C-O 111.825 -4.875 . . . . 0.23000000000000001 107.451 175.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.18 -47.15 87.47 Favored 'General case' 0 N--CA 1.41 -2.442 0 O-C-N 128.364 3.038 . . . . 0.23000000000000001 104.897 170.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . 0.531 ' O ' ' C ' ' B' ' 108' ' ' PHE 0.257 52.0 mt -87.13 48.37 1.64 Allowed 'General case' 0 C--O 1.194 -1.859 0 C-N-CA 124.504 1.122 . . . . 0.23000000000000001 108.294 175.849 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . 0.531 ' C ' ' O ' ' B' ' 107' ' ' LEU . 68.7 m-85 13.77 91.35 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.533 0 CA-C-O 117.133 -1.413 . . . . 0.23000000000000001 113.373 162.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 2.6 mm? 71.52 -35.8 0.34 Allowed 'General case' 0 C--O 1.195 -1.769 0 O-C-N 126.833 2.583 . . . . 0.23000000000000001 112.309 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 69.51 57.75 7.09 Favored Glycine 0 CA--C 1.453 -3.82 1 CA-C-N 128.448 5.113 . . . . 0.23000000000000001 103.228 -174.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -65.85 126.4 28.37 Favored 'General case' 0 N--CA 1.502 2.135 0 CA-C-O 115.522 -2.18 . . . . 0.23000000000000001 107.64 -175.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 34.8 tp -68.0 101.42 1.12 Allowed 'General case' 0 C--N 1.396 2.627 0 CA-C-O 115.228 -2.32 . . . . 0.23000000000000001 108.252 166.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -130.6 75.59 0.42 Allowed Glycine 0 N--CA 1.491 2.342 0 C-N-CA 129.339 3.352 . . . . 0.23000000000000001 109.641 -174.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -159.17 40.91 0.22 Allowed 'General case' 0 N--CA 1.482 1.172 2 CA-C-N 126.382 5.091 . . . . 0.23000000000000001 113.079 16.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -166.25 -43.32 0.03 OUTLIER 'General case' 0 C--N 1.345 0.379 0 CA-C-N 109.369 -3.56 . . . . 0.23000000000000001 117.221 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . 178.99 93.4 0.09 OUTLIER Glycine 0 CA--C 1.567 3.295 0 CA-C-N 123.826 3.012 . . . . 0.23000000000000001 115.926 172.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' SER . . . . . 0.435 ' O ' ' C ' ' B' ' 118' ' ' THR 0.278 1.4 p -162.27 -179.3 6.92 Favored 'General case' 0 N--CA 1.39 -3.467 0 CA-C-N 119.17 1.485 . . . . 0.23999999999999999 111.492 -179.362 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' THR . . . . . 0.435 ' C ' ' O ' ' B' ' 117' ' ' SER . 69.4 p -50.37 -58.79 4.9 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 114.989 -2.684 . . . . 0.23999999999999999 109.048 170.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' MET . . . . . . . . . . . . . 24.6 ptm -135.27 32.63 3.11 Favored 'General case' 0 C--O 1.201 -1.468 0 CA-C-N 123.318 2.781 . . . . 0.23000000000000001 106.284 -175.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 112.29 142.86 8.76 Favored Glycine 0 C--N 1.372 2.576 0 CA-C-O 116.274 -2.404 . . . . 0.23000000000000001 113.51 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -108.47 174.89 5.67 Favored 'General case' 0 C--N 1.372 1.554 0 CA-C-O 116.35 -1.786 . . . . 0.23000000000000001 108.122 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 34.3 tpt85 -65.53 -38.72 90.46 Favored 'General case' 0 CA--C 1.458 -2.585 0 CA-C-N 121.643 2.02 . . . . 0.39000000000000001 107.297 168.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 22.4 p . . . . . 0 N--CA 1.505 2.324 0 O-C-N 124.797 1.311 . . . . 0.28000000000000003 110.017 169.404 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.5 tt . . . . . 0 N--CA 1.428 -1.562 0 CA-C-O 114.674 -2.584 . . . . 0.23 110.911 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -75.54 -41.79 54.12 Favored 'General case' 0 CA--C 1.446 -3.028 0 C-N-CA 118.455 -1.298 . . . . 0.23 113.874 167.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.03 -50.4 58.64 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 126.016 1.726 . . . . 0.23 113.649 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.267 4.2 tt -160.7 110.84 1.32 Allowed Pre-proline 0 C--N 1.368 1.387 1 CA-C-O 111.364 -4.16 . . . . 0.24 112.606 -178.404 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -83.87 34.56 0.53 Allowed 'Trans proline' 0 N--CA 1.431 -2.148 0 CA-C-N 125.083 2.851 . . . . 0.23 118.466 -175.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.4 m -168.27 -92.15 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.207 1 CA-C-O 111.129 -4.272 . . . . 0.23 109.55 -166.281 -66.203 -166.925 -57.699 97.031 2.034 102.592 -170.136 -77.006 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . 0.405 19.3 m 93.54 -47.27 0.01 OUTLIER 'General case' 0 C--N 1.368 1.379 0 CA-C-N 123.352 2.797 . . . . 0.24 109.016 -173.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.283 84.0 mt -95.0 -82.2 0.02 OUTLIER Pre-proline 0 C--O 1.206 -1.218 0 CA-C-O 113.35 -3.214 . . . . 0.24 108.791 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -58.52 162.35 12.65 Favored 'Trans proline' 0 N--CA 1.493 1.495 1 CA-C-N 128.507 4.074 . . . . 0.24 111.607 -167.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -62.45 94.8 0.14 Allowed 'Trans proline' 0 N--CA 1.419 -2.882 0 O-C-N 114.81 -3.31 . . . . 0.23 110.972 -175.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.3 m -118.49 159.03 24.24 Favored 'General case' 0 C--N 1.369 1.45 0 CA-C-O 114.782 -2.532 . . . . 0.23 109.357 -175.782 -77.006 -170.136 -57.699 102.592 2.034 97.031 -166.925 -66.203 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.406 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 98.1 m-85 -148.81 59.66 1.06 Allowed 'General case' 0 C--N 1.383 2.05 0 CA-C-O 114.861 -2.495 . . . . 0.23 104.346 -177.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.482 ' O ' ' CD1' ' A' ' 14' ' ' PHE 0.302 . . 91.12 -46.54 0.02 OUTLIER 'General case' 1 N--CA 1.554 4.743 0 O-C-N 126.128 2.143 . . . . 0.23 114.955 177.629 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 13' ' ' ALA 0.277 28.9 m-85 -150.88 39.19 0.69 Allowed 'General case' 0 C--O 1.186 -2.263 0 O-C-N 117.994 -2.941 . . . . 0.23 110.808 -177.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -99.11 -65.53 0.96 Allowed 'General case' 0 C--N 1.368 1.398 0 CA-C-O 114.467 -2.683 . . . . 0.23 103.957 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.4 tptt 44.59 71.48 1.5 Allowed Pre-proline 0 C--N 1.425 3.857 1 CA-C-N 126.281 4.128 . . . . 0.24 107.894 -163.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -50.42 151.34 10.08 Favored 'Trans proline' 0 N--CA 1.492 1.437 1 N-CA-C 122.821 4.123 . . . . 0.23 122.821 -156.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.259 49.5 m-85 -156.33 82.92 0.98 Allowed 'General case' 0 C--O 1.196 -1.746 0 N-CA-C 100.432 -3.914 . . . . 0.23 100.432 170.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . 0.401 16.2 t -145.67 151.62 14.72 Favored 'Isoleucine or valine' 0 C--N 1.383 2.065 0 N-CA-C 114.205 1.187 . . . . 0.23 114.205 -0.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.0 t80 . . . . . 0 CA--C 1.575 1.914 0 CA-C-O 124.37 2.033 . . . . 0.28 111.14 -170.783 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.117 0 N-CA-C 102.262 -3.236 . . . . 0.23 102.262 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 8.7 p -54.79 -48.37 73.44 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.008 0 CA-C-O 125.034 2.35 . . . . 0.23 105.593 -175.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 152.18 -119.15 0.95 Allowed Glycine 0 CA--C 1.567 3.284 0 O-C-N 117.17 -3.456 . . . . 0.23 116.167 -168.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 16.5 mm -78.08 150.15 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.306 0 CA-C-N 121.77 2.785 . . . . 0.23 106.011 170.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 104.33 -63.71 0.35 Allowed Glycine 0 C--N 1.343 0.951 1 CA-C-O 111.825 -4.875 . . . . 0.23 107.451 175.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.18 -47.15 87.47 Favored 'General case' 0 N--CA 1.41 -2.442 0 O-C-N 128.364 3.038 . . . . 0.23 104.897 170.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.531 ' O ' ' C ' ' B' ' 108' ' ' PHE 0.257 52.0 mt -87.13 48.37 1.64 Allowed 'General case' 0 C--O 1.194 -1.859 0 C-N-CA 124.504 1.122 . . . . 0.23 108.294 175.849 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 108' ' ' PHE . . . . . 0.531 ' C ' ' O ' ' B' ' 107' ' ' LEU . 68.7 m-85 13.77 91.35 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.533 0 CA-C-O 117.133 -1.413 . . . . 0.23 113.373 162.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' B' ' 108' ' ' PHE . 2.6 mm? 71.52 -35.8 0.34 Allowed 'General case' 0 C--O 1.195 -1.769 0 O-C-N 126.833 2.583 . . . . 0.23 112.309 177.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 69.51 57.75 7.09 Favored Glycine 0 CA--C 1.453 -3.82 1 CA-C-N 128.448 5.113 . . . . 0.23 103.228 -174.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 111' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -65.85 126.4 28.37 Favored 'General case' 0 N--CA 1.502 2.135 0 CA-C-O 115.522 -2.18 . . . . 0.23 107.64 -175.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 34.8 tp -68.0 101.42 1.12 Allowed 'General case' 0 C--N 1.396 2.627 0 CA-C-O 115.228 -2.32 . . . . 0.23 108.252 166.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -130.6 75.59 0.42 Allowed Glycine 0 N--CA 1.491 2.342 0 C-N-CA 129.339 3.352 . . . . 0.23 109.641 -174.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -159.17 40.91 0.22 Allowed 'General case' 0 N--CA 1.482 1.172 2 CA-C-N 126.382 5.091 . . . . 0.23 113.079 16.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -166.25 -43.32 0.03 OUTLIER 'General case' 0 C--N 1.345 0.379 0 CA-C-N 109.369 -3.56 . . . . 0.23 117.221 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . 178.99 93.4 0.09 OUTLIER Glycine 0 CA--C 1.567 3.295 0 CA-C-N 123.826 3.012 . . . . 0.23 115.926 172.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' SER . . . . . 0.435 ' O ' ' C ' ' B' ' 118' ' ' THR 0.278 1.4 p -162.27 -179.3 6.92 Favored 'General case' 0 N--CA 1.39 -3.467 0 CA-C-N 119.17 1.485 . . . . 0.24 111.492 -179.362 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 118' ' ' THR . . . . . 0.435 ' C ' ' O ' ' B' ' 117' ' ' SER . 69.4 p -50.37 -58.79 4.9 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 114.989 -2.684 . . . . 0.24 109.048 170.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 119' ' ' MET . . . . . . . . . . . . . 24.6 ptm -135.27 32.63 3.11 Favored 'General case' 0 C--O 1.201 -1.468 0 CA-C-N 123.318 2.781 . . . . 0.23 106.284 -175.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 112.29 142.86 8.76 Favored Glycine 0 C--N 1.372 2.576 0 CA-C-O 116.274 -2.404 . . . . 0.23 113.51 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -108.47 174.89 5.67 Favored 'General case' 0 C--N 1.372 1.554 0 CA-C-O 116.35 -1.786 . . . . 0.23 108.122 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 34.3 tpt85 -65.53 -38.72 90.46 Favored 'General case' 0 CA--C 1.458 -2.585 0 CA-C-N 121.643 2.02 . . . . 0.39 107.297 168.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 22.4 p . . . . . 0 N--CA 1.505 2.324 0 O-C-N 124.797 1.311 . . . . 0.28 110.017 169.404 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.5 tt . . . . . 0 N--CA 1.428 -1.562 0 CA-C-O 114.674 -2.584 . . . . 0.23000000000000001 110.911 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -75.54 -41.79 54.12 Favored 'General case' 0 CA--C 1.446 -3.028 0 C-N-CA 118.455 -1.298 . . . . 0.23000000000000001 113.874 167.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.03 -50.4 58.64 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 126.016 1.726 . . . . 0.23000000000000001 113.649 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.267 4.2 tt -160.7 110.84 1.32 Allowed Pre-proline 0 C--N 1.368 1.387 1 CA-C-O 111.364 -4.16 . . . . 0.23999999999999999 112.606 -178.404 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -83.87 34.56 0.53 Allowed 'Trans proline' 0 N--CA 1.431 -2.148 0 CA-C-N 125.083 2.851 . . . . 0.23000000000000001 118.466 -175.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.4 m -168.27 -92.15 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.207 1 CA-C-O 111.129 -4.272 . . . . 0.23000000000000001 109.55 -166.281 -66.203 -166.925 -57.699 97.031 2.034 102.592 -170.136 -77.006 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . 0.405 19.3 m 93.54 -47.27 0.01 OUTLIER 'General case' 0 C--N 1.368 1.379 0 CA-C-N 123.352 2.797 . . . . 0.23999999999999999 109.016 -173.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.283 84.0 mt -95.0 -82.2 0.02 OUTLIER Pre-proline 0 C--O 1.206 -1.218 0 CA-C-O 113.35 -3.214 . . . . 0.23999999999999999 108.791 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -58.52 162.35 12.65 Favored 'Trans proline' 0 N--CA 1.493 1.495 1 CA-C-N 128.507 4.074 . . . . 0.23999999999999999 111.607 -167.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -62.45 94.8 0.14 Allowed 'Trans proline' 0 N--CA 1.419 -2.882 0 O-C-N 114.81 -3.31 . . . . 0.23000000000000001 110.972 -175.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.3 m -118.49 159.03 24.24 Favored 'General case' 0 C--N 1.369 1.45 0 CA-C-O 114.782 -2.532 . . . . 0.23000000000000001 109.357 -175.782 -77.006 -170.136 -57.699 102.592 2.034 97.031 -166.925 -66.203 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.406 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 98.1 m-85 -148.81 59.66 1.06 Allowed 'General case' 0 C--N 1.383 2.05 0 CA-C-O 114.861 -2.495 . . . . 0.23000000000000001 104.346 -177.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.482 ' O ' ' CD1' ' A' ' 14' ' ' PHE 0.302 . . 91.12 -46.54 0.02 OUTLIER 'General case' 1 N--CA 1.554 4.743 0 O-C-N 126.128 2.143 . . . . 0.23000000000000001 114.955 177.629 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 13' ' ' ALA 0.277 28.9 m-85 -150.88 39.19 0.69 Allowed 'General case' 0 C--O 1.186 -2.263 0 O-C-N 117.994 -2.941 . . . . 0.23000000000000001 110.808 -177.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -99.11 -65.53 0.96 Allowed 'General case' 0 C--N 1.368 1.398 0 CA-C-O 114.467 -2.683 . . . . 0.23000000000000001 103.957 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.4 tptt 44.59 71.48 1.5 Allowed Pre-proline 0 C--N 1.425 3.857 1 CA-C-N 126.281 4.128 . . . . 0.23999999999999999 107.894 -163.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -50.42 151.34 10.08 Favored 'Trans proline' 0 N--CA 1.492 1.437 1 N-CA-C 122.821 4.123 . . . . 0.23000000000000001 122.821 -156.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.259 49.5 m-85 -156.33 82.92 0.98 Allowed 'General case' 0 C--O 1.196 -1.746 0 N-CA-C 100.432 -3.914 . . . . 0.23000000000000001 100.432 170.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . 0.401 16.2 t -145.67 151.62 14.72 Favored 'Isoleucine or valine' 0 C--N 1.383 2.065 0 N-CA-C 114.205 1.187 . . . . 0.23000000000000001 114.205 -0.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.0 t80 . . . . . 0 CA--C 1.575 1.914 0 CA-C-O 124.37 2.033 . . . . 0.28000000000000003 111.14 -170.783 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.117 0 N-CA-C 102.262 -3.236 . . . . 0.23000000000000001 102.262 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 8.7 p -54.79 -48.37 73.44 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.008 0 CA-C-O 125.034 2.35 . . . . 0.23000000000000001 105.593 -175.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 152.18 -119.15 0.95 Allowed Glycine 0 CA--C 1.567 3.284 0 O-C-N 117.17 -3.456 . . . . 0.23000000000000001 116.167 -168.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 16.5 mm -78.08 150.15 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.306 0 CA-C-N 121.77 2.785 . . . . 0.23000000000000001 106.011 170.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 104.33 -63.71 0.35 Allowed Glycine 0 C--N 1.343 0.951 1 CA-C-O 111.825 -4.875 . . . . 0.23000000000000001 107.451 175.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.18 -47.15 87.47 Favored 'General case' 0 N--CA 1.41 -2.442 0 O-C-N 128.364 3.038 . . . . 0.23000000000000001 104.897 170.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.531 ' O ' ' C ' ' B' ' 108' ' ' PHE 0.257 52.0 mt -87.13 48.37 1.64 Allowed 'General case' 0 C--O 1.194 -1.859 0 C-N-CA 124.504 1.122 . . . . 0.23000000000000001 108.294 175.849 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . 0.531 ' C ' ' O ' ' B' ' 107' ' ' LEU . 68.7 m-85 13.77 91.35 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.533 0 CA-C-O 117.133 -1.413 . . . . 0.23000000000000001 113.373 162.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' B' ' 108' ' ' PHE . 2.6 mm? 71.52 -35.8 0.34 Allowed 'General case' 0 C--O 1.195 -1.769 0 O-C-N 126.833 2.583 . . . . 0.23000000000000001 112.309 177.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 69.51 57.75 7.09 Favored Glycine 0 CA--C 1.453 -3.82 1 CA-C-N 128.448 5.113 . . . . 0.23000000000000001 103.228 -174.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -65.85 126.4 28.37 Favored 'General case' 0 N--CA 1.502 2.135 0 CA-C-O 115.522 -2.18 . . . . 0.23000000000000001 107.64 -175.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 34.8 tp -68.0 101.42 1.12 Allowed 'General case' 0 C--N 1.396 2.627 0 CA-C-O 115.228 -2.32 . . . . 0.23000000000000001 108.252 166.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -130.6 75.59 0.42 Allowed Glycine 0 N--CA 1.491 2.342 0 C-N-CA 129.339 3.352 . . . . 0.23000000000000001 109.641 -174.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -159.17 40.91 0.22 Allowed 'General case' 0 N--CA 1.482 1.172 2 CA-C-N 126.382 5.091 . . . . 0.23000000000000001 113.079 16.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -166.25 -43.32 0.03 OUTLIER 'General case' 0 C--N 1.345 0.379 0 CA-C-N 109.369 -3.56 . . . . 0.23000000000000001 117.221 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . 178.99 93.4 0.09 OUTLIER Glycine 0 CA--C 1.567 3.295 0 CA-C-N 123.826 3.012 . . . . 0.23000000000000001 115.926 172.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . 0.435 ' O ' ' C ' ' B' ' 118' ' ' THR 0.278 1.4 p -162.27 -179.3 6.92 Favored 'General case' 0 N--CA 1.39 -3.467 0 CA-C-N 119.17 1.485 . . . . 0.23999999999999999 111.492 -179.362 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' THR . . . . . 0.435 ' C ' ' O ' ' B' ' 117' ' ' SER . 69.4 p -50.37 -58.79 4.9 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 114.989 -2.684 . . . . 0.23999999999999999 109.048 170.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' MET . . . . . . . . . . . . . 24.6 ptm -135.27 32.63 3.11 Favored 'General case' 0 C--O 1.201 -1.468 0 CA-C-N 123.318 2.781 . . . . 0.23000000000000001 106.284 -175.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 112.29 142.86 8.76 Favored Glycine 0 C--N 1.372 2.576 0 CA-C-O 116.274 -2.404 . . . . 0.23000000000000001 113.51 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -108.47 174.89 5.67 Favored 'General case' 0 C--N 1.372 1.554 0 CA-C-O 116.35 -1.786 . . . . 0.23000000000000001 108.122 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 34.3 tpt85 -65.53 -38.72 90.46 Favored 'General case' 0 CA--C 1.458 -2.585 0 CA-C-N 121.643 2.02 . . . . 0.39000000000000001 107.297 168.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 22.4 p . . . . . 0 N--CA 1.505 2.324 0 O-C-N 124.797 1.311 . . . . 0.28000000000000003 110.017 169.404 . . . . . . . . 0 0 . 1 stop_ save_