data_2jyp_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 2jyp _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' ' ' THR . . . . . 0.96 ' H1 ' ' NE2' ' A' ' 3' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.72 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.808 ' NE ' ' O ' ' A' ' 1' ' ' THR . 0.0 OUTLIER -165.4 -7.66 0.02 OUTLIER 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 178.279 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.96 ' NE2' ' H1 ' ' A' ' 1' ' ' THR . 1.4 p80 -106.15 -37.13 6.69 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 112.568 -2.105 . . . . 0.0 110.213 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.684 ' O ' ' CG ' ' A' ' 8' ' ' PRO . 3.6 m 161.47 27.21 0.0 OUTLIER 'General case' 0 CA--C 1.464 -2.338 0 C-N-CA 119.547 -0.861 . . . . 0.0 112.705 -179.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.758 ' O ' ' CD2' ' A' ' 9' ' ' PHE . 17.7 m-85 -122.1 -25.36 4.93 Favored 'General case' 0 C--N 1.279 -2.466 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 176.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.981 ' HD3' ' N ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -61.94 10.92 0.02 OUTLIER 'General case' 0 N--CA 1.419 -2.009 0 CA-C-N 113.369 -1.741 . . . . 0.0 107.746 170.249 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.796 ' O ' ' N ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -139.17 -65.72 0.02 OUTLIER Pre-proline 0 C--N 1.378 1.839 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -179.102 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.684 ' CG ' ' O ' ' A' ' 4' ' ' SER . 70.9 Cg_exo -27.73 -38.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 121.474 1.449 . . . . 0.0 108.828 -177.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.794 ' CD1' ' N ' ' A' ' 10' ' ' HIS . 3.8 p90 -97.75 -37.61 9.8 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.239 -1.346 . . . . 0.0 108.346 175.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.799 ' HB3' ' O ' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -82.57 -15.04 53.74 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 112.86 -1.973 . . . . 0.0 115.456 -175.054 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.709 ' N ' ' O ' ' A' ' 7' ' ' ARG . 8.8 pt-20 38.71 25.15 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 122.754 1.264 . . . . 0.0 108.021 -177.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.897 ' C ' ' H ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -89.36 18.42 5.24 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 112.383 -2.19 . . . . 0.0 108.057 178.719 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.89 ' C ' ' H ' ' A' ' 15' ' ' CYS . . . -104.28 -68.92 0.83 Allowed 'General case' 0 CA--C 1.485 -1.537 0 C-N-CA 118.002 -1.479 . . . . 0.0 109.816 177.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.789 ' O ' ' NE ' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -54.49 -0.91 0.02 OUTLIER 'General case' 0 N--CA 1.416 -2.15 0 N-CA-C 104.796 -2.298 . . . . 0.0 104.796 174.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.89 ' H ' ' C ' ' A' ' 13' ' ' ALA . 62.4 m -124.51 -61.36 1.33 Allowed 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.711 179.358 -56.707 -94.22 -43.976 142.887 2.861 88.836 138.629 -116.588 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.897 ' H ' ' C ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -87.01 83.37 7.51 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 117.258 -1.777 . . . . 0.0 107.363 177.595 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.671 ' N ' ' CB ' ' A' ' 20' ' ' ASP . 0.5 OUTLIER 170.05 -19.88 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 112.787 -2.006 . . . . 0.0 107.789 -179.37 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.474 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 1.0 OUTLIER -136.48 -20.0 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 CA-C-N 115.263 -0.88 . . . . 0.0 108.77 -179.459 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.668 ' OG1' ' CD ' ' A' ' 24' ' ' ARG . 63.8 m -106.19 -23.62 12.54 Favored 'General case' 0 CA--C 1.475 -1.924 0 N-CA-C 102.731 -3.062 . . . . 0.0 102.731 172.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.671 ' CB ' ' N ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -33.22 -48.3 0.62 Allowed Pre-proline 0 N--CA 1.4 -2.958 0 CA-C-N 109.553 -3.476 . . . . 0.0 109.925 -179.459 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.548 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 17.9 Cg_endo -89.59 -33.54 0.1 OUTLIER 'Trans proline' 0 C--N 1.325 -0.687 0 C-N-CA 122.905 2.404 . . . . 0.0 110.254 178.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.545 ' H ' ' HD2' ' A' ' 21' ' ' PRO . . . 152.99 -1.92 0.27 Allowed Glycine 0 N--CA 1.498 2.824 0 C-N-CA 119.121 -1.514 . . . . 0.0 112.498 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.704 ' C ' ' H ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -78.39 -161.63 0.29 Allowed 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 119.704 -0.798 . . . . 0.0 109.464 178.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.88 ' CG ' HH11 ' A' ' 24' ' ' ARG . 0.0 OUTLIER 68.86 -18.66 0.17 Allowed 'General case' 0 CA--C 1.509 -0.599 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.712 -179.29 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.867 ' NE2' ' N ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER 57.53 28.66 15.9 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 -177.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.867 ' O ' ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER 67.21 98.43 0.05 Allowed 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 112.885 -1.961 . . . . 0.0 113.713 177.571 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.746 ' SG ' ' CZ ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -29.54 74.09 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.841 0.713 . . . . 0.0 109.689 176.824 -116.588 138.629 -43.976 88.836 2.861 142.887 -94.22 -56.707 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.867 ' N ' ' O ' ' A' ' 26' ' ' ARG . 0.5 OUTLIER 58.43 30.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.285 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 -178.715 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.816 ' O ' ' N ' ' A' ' 33' ' ' SER . 0.6 OUTLIER 81.91 10.28 0.78 Allowed 'General case' 0 N--CA 1.491 1.616 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.084 -179.67 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.803 ' C ' ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -50.07 48.77 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -178.719 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.803 ' CD1' ' C ' ' A' ' 30' ' ' MET . 0.0 OUTLIER -168.71 -12.66 0.02 OUTLIER 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 103.269 -2.863 . . . . 0.0 103.269 178.206 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.769 ' N ' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -122.84 -43.62 2.24 Favored 'General case' 0 N--CA 1.429 -1.501 0 CA-C-N 110.15 -3.205 . . . . 0.0 104.948 176.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.816 ' N ' ' O ' ' A' ' 29' ' ' ASP . 13.5 t -75.22 -18.94 60.02 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 112.708 -2.042 . . . . 0.0 109.642 176.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.706 ' O ' ' O ' ' A' ' 35' ' ' THR . 2.4 m-85 -121.77 -4.27 9.18 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.465 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.706 ' O ' ' O ' ' A' ' 34' ' ' TYR . 9.5 t -45.95 -151.19 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.307 0.575 . . . . 0.0 111.104 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.691 ' H ' ' HG1' ' A' ' 35' ' ' THR . 6.0 m-80 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.74 -1.124 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.826 ' CG2' HH21 ' A' ' 2' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.72 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.826 HH21 ' CG2' ' A' ' 1' ' ' THR . 0.0 OUTLIER -165.4 -7.66 0.02 OUTLIER 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 178.279 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.672 ' NE2' ' N ' ' A' ' 1' ' ' THR . 1.4 p80 -106.15 -37.13 6.69 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 112.568 -2.105 . . . . 0.0 110.213 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.684 ' O ' ' CG ' ' A' ' 8' ' ' PRO . 3.6 m 161.47 27.21 0.0 OUTLIER 'General case' 0 CA--C 1.464 -2.338 0 C-N-CA 119.547 -0.861 . . . . 0.0 112.705 -179.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.758 ' O ' ' CD2' ' A' ' 9' ' ' PHE . 17.7 m-85 -122.1 -25.36 4.93 Favored 'General case' 0 C--N 1.279 -2.466 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 176.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 1.03 ' HD3' ' N ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -61.94 10.92 0.02 OUTLIER 'General case' 0 N--CA 1.419 -2.009 0 CA-C-N 113.369 -1.741 . . . . 0.0 107.746 170.249 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.884 ' NE ' ' HB3' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -139.17 -65.72 0.02 OUTLIER Pre-proline 0 C--N 1.378 1.839 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -179.102 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.684 ' CG ' ' O ' ' A' ' 4' ' ' SER . 70.9 Cg_exo -27.73 -38.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 121.474 1.449 . . . . 0.0 108.828 -177.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.794 ' CD1' ' N ' ' A' ' 10' ' ' HIS . 3.8 p90 -97.75 -37.61 9.8 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.239 -1.346 . . . . 0.0 108.346 175.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.855 ' HB3' ' O ' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -82.57 -15.04 53.74 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 112.86 -1.973 . . . . 0.0 115.456 -175.054 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.709 ' N ' ' O ' ' A' ' 7' ' ' ARG . 8.8 pt-20 38.71 25.15 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 122.754 1.264 . . . . 0.0 108.021 -177.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.909 ' C ' ' H ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -89.36 18.42 5.24 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 112.383 -2.19 . . . . 0.0 108.057 178.719 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.884 ' HB3' ' NE ' ' A' ' 7' ' ' ARG . . . -104.28 -68.92 0.83 Allowed 'General case' 0 CA--C 1.485 -1.537 0 C-N-CA 118.002 -1.479 . . . . 0.0 109.816 177.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.789 ' O ' ' NE ' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -54.49 -0.91 0.02 OUTLIER 'General case' 0 N--CA 1.416 -2.15 0 N-CA-C 104.796 -2.298 . . . . 0.0 104.796 174.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.838 ' H ' ' C ' ' A' ' 13' ' ' ALA . 62.4 m -124.51 -61.36 1.33 Allowed 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.711 179.358 -56.707 -94.22 -43.976 142.887 2.861 88.836 138.629 -116.588 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.909 ' H ' ' C ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -87.01 83.37 7.51 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 117.258 -1.777 . . . . 0.0 107.363 177.595 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.671 ' N ' ' CB ' ' A' ' 20' ' ' ASP . 0.5 OUTLIER 170.05 -19.88 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 112.787 -2.006 . . . . 0.0 107.789 -179.37 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.474 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 1.0 OUTLIER -136.48 -20.0 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 CA-C-N 115.263 -0.88 . . . . 0.0 108.77 -179.459 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.668 ' OG1' ' CD ' ' A' ' 24' ' ' ARG . 63.8 m -106.19 -23.62 12.54 Favored 'General case' 0 CA--C 1.475 -1.924 0 N-CA-C 102.731 -3.062 . . . . 0.0 102.731 172.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.671 ' CB ' ' N ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -33.22 -48.3 0.62 Allowed Pre-proline 0 N--CA 1.4 -2.958 0 CA-C-N 109.553 -3.476 . . . . 0.0 109.925 -179.459 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.548 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 17.9 Cg_endo -89.59 -33.54 0.1 OUTLIER 'Trans proline' 0 C--N 1.325 -0.687 0 C-N-CA 122.905 2.404 . . . . 0.0 110.254 178.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.479 ' H ' ' HD2' ' A' ' 21' ' ' PRO . . . 152.99 -1.92 0.27 Allowed Glycine 0 N--CA 1.498 2.824 0 C-N-CA 119.121 -1.514 . . . . 0.0 112.498 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.651 ' C ' ' H ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -78.39 -161.63 0.29 Allowed 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 119.704 -0.798 . . . . 0.0 109.464 178.892 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.91 ' CG ' HH11 ' A' ' 24' ' ' ARG . 0.0 OUTLIER 68.86 -18.66 0.17 Allowed 'General case' 0 CA--C 1.509 -0.599 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.712 -179.29 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.716 ' OE1' ' N ' ' A' ' 25' ' ' GLN . 0.5 OUTLIER 57.53 28.66 15.9 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 -177.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.867 ' O ' ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER 67.21 98.43 0.05 Allowed 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 112.885 -1.961 . . . . 0.0 113.713 177.571 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.746 ' SG ' ' CZ ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -29.54 74.09 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.841 0.713 . . . . 0.0 109.689 176.824 -116.588 138.629 -43.976 88.836 2.861 142.887 -94.22 -56.707 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.867 ' N ' ' O ' ' A' ' 26' ' ' ARG . 0.5 OUTLIER 58.43 30.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.285 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 -178.715 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.816 ' O ' ' N ' ' A' ' 33' ' ' SER . 0.6 OUTLIER 81.91 10.28 0.78 Allowed 'General case' 0 N--CA 1.491 1.616 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.084 -179.67 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.803 ' C ' ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -50.07 48.77 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -178.719 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.803 ' CD1' ' C ' ' A' ' 30' ' ' MET . 0.0 OUTLIER -168.71 -12.66 0.02 OUTLIER 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 103.269 -2.863 . . . . 0.0 103.269 178.206 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.769 ' N ' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -122.84 -43.62 2.24 Favored 'General case' 0 N--CA 1.429 -1.501 0 CA-C-N 110.15 -3.205 . . . . 0.0 104.948 176.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.816 ' N ' ' O ' ' A' ' 29' ' ' ASP . 13.5 t -75.22 -18.94 60.02 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 112.708 -2.042 . . . . 0.0 109.642 176.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.706 ' O ' ' O ' ' A' ' 35' ' ' THR . 2.4 m-85 -121.77 -4.27 9.18 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.465 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.706 ' O ' ' O ' ' A' ' 34' ' ' TYR . 9.5 t -45.95 -151.19 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.307 0.575 . . . . 0.0 111.104 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.453 ' N ' ' OG1' ' A' ' 35' ' ' THR . 6.0 m-80 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.74 -1.124 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.826 ' CG2' HH21 ' A' ' 2' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.72 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.826 HH21 ' CG2' ' A' ' 1' ' ' THR . 0.0 OUTLIER -165.4 -7.66 0.02 OUTLIER 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 178.279 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.672 ' NE2' ' N ' ' A' ' 1' ' ' THR . 1.4 p80 -106.15 -37.13 6.69 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 112.568 -2.105 . . . . 0.0 110.213 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.684 ' O ' ' CG ' ' A' ' 8' ' ' PRO . 3.6 m 161.47 27.21 0.0 OUTLIER 'General case' 0 CA--C 1.464 -2.338 0 C-N-CA 119.547 -0.861 . . . . 0.0 112.705 -179.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.758 ' O ' ' CD2' ' A' ' 9' ' ' PHE . 17.7 m-85 -122.1 -25.36 4.93 Favored 'General case' 0 C--N 1.279 -2.466 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 176.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 1.03 ' N ' ' HD3' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -61.94 10.92 0.02 OUTLIER 'General case' 0 N--CA 1.419 -2.009 0 CA-C-N 113.369 -1.741 . . . . 0.0 107.746 170.249 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.884 ' NE ' ' HB3' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -139.17 -65.72 0.02 OUTLIER Pre-proline 0 C--N 1.378 1.839 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -179.102 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.684 ' CG ' ' O ' ' A' ' 4' ' ' SER . 70.9 Cg_exo -27.73 -38.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 121.474 1.449 . . . . 0.0 108.828 -177.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.794 ' CD1' ' N ' ' A' ' 10' ' ' HIS . 3.8 p90 -97.75 -37.61 9.8 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.239 -1.346 . . . . 0.0 108.346 175.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.855 ' HB3' ' O ' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -82.57 -15.04 53.74 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 112.86 -1.973 . . . . 0.0 115.456 -175.054 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.709 ' N ' ' O ' ' A' ' 7' ' ' ARG . 8.8 pt-20 38.71 25.15 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 122.754 1.264 . . . . 0.0 108.021 -177.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.909 ' C ' ' H ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -89.36 18.42 5.24 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 112.383 -2.19 . . . . 0.0 108.057 178.719 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.884 ' HB3' ' NE ' ' A' ' 7' ' ' ARG . . . -104.28 -68.92 0.83 Allowed 'General case' 0 CA--C 1.485 -1.537 0 C-N-CA 118.002 -1.479 . . . . 0.0 109.816 177.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.789 ' O ' ' NE ' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -54.49 -0.91 0.02 OUTLIER 'General case' 0 N--CA 1.416 -2.15 0 N-CA-C 104.796 -2.298 . . . . 0.0 104.796 174.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.838 ' H ' ' C ' ' A' ' 13' ' ' ALA . 62.4 m -124.51 -61.36 1.33 Allowed 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.711 179.358 -56.707 -94.22 -43.976 142.887 2.861 88.836 138.629 -116.588 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.909 ' H ' ' C ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -87.01 83.37 7.51 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 117.258 -1.777 . . . . 0.0 107.363 177.595 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.671 ' N ' ' CB ' ' A' ' 20' ' ' ASP . 0.5 OUTLIER 170.05 -19.88 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 112.787 -2.006 . . . . 0.0 107.789 -179.37 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.474 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 1.0 OUTLIER -136.48 -20.0 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 CA-C-N 115.263 -0.88 . . . . 0.0 108.77 -179.459 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.668 ' OG1' ' CD ' ' A' ' 24' ' ' ARG . 63.8 m -106.19 -23.62 12.54 Favored 'General case' 0 CA--C 1.475 -1.924 0 N-CA-C 102.731 -3.062 . . . . 0.0 102.731 172.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.671 ' CB ' ' N ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -33.22 -48.3 0.62 Allowed Pre-proline 0 N--CA 1.4 -2.958 0 CA-C-N 109.553 -3.476 . . . . 0.0 109.925 -179.459 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.548 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 17.9 Cg_endo -89.59 -33.54 0.1 OUTLIER 'Trans proline' 0 C--N 1.325 -0.687 0 C-N-CA 122.905 2.404 . . . . 0.0 110.254 178.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.479 ' H ' ' HD2' ' A' ' 21' ' ' PRO . . . 152.99 -1.92 0.27 Allowed Glycine 0 N--CA 1.498 2.824 0 C-N-CA 119.121 -1.514 . . . . 0.0 112.498 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.664 ' HA ' HE22 ' A' ' 25' ' ' GLN . 0.2 OUTLIER -78.39 -161.63 0.29 Allowed 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 119.704 -0.798 . . . . 0.0 109.464 178.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.91 HH11 ' CG ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER 68.86 -18.66 0.17 Allowed 'General case' 0 CA--C 1.509 -0.599 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.712 -179.29 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.891 ' H ' ' NE2' ' A' ' 25' ' ' GLN . 0.0 OUTLIER 57.53 28.66 15.9 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 -177.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.867 ' O ' ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER 67.21 98.43 0.05 Allowed 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 112.885 -1.961 . . . . 0.0 113.713 177.571 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.746 ' SG ' ' CZ ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -29.54 74.09 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.841 0.713 . . . . 0.0 109.689 176.824 -116.588 138.629 -43.976 88.836 2.861 142.887 -94.22 -56.707 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.867 ' N ' ' O ' ' A' ' 26' ' ' ARG . 0.5 OUTLIER 58.43 30.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.285 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 -178.715 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.816 ' O ' ' N ' ' A' ' 33' ' ' SER . 0.6 OUTLIER 81.91 10.28 0.78 Allowed 'General case' 0 N--CA 1.491 1.616 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.084 -179.67 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.803 ' C ' ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -50.07 48.77 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -178.719 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.803 ' CD1' ' C ' ' A' ' 30' ' ' MET . 0.0 OUTLIER -168.71 -12.66 0.02 OUTLIER 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 103.269 -2.863 . . . . 0.0 103.269 178.206 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.769 ' N ' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -122.84 -43.62 2.24 Favored 'General case' 0 N--CA 1.429 -1.501 0 CA-C-N 110.15 -3.205 . . . . 0.0 104.948 176.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.816 ' N ' ' O ' ' A' ' 29' ' ' ASP . 13.5 t -75.22 -18.94 60.02 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 112.708 -2.042 . . . . 0.0 109.642 176.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.706 ' O ' ' O ' ' A' ' 35' ' ' THR . 2.4 m-85 -121.77 -4.27 9.18 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.465 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.706 ' O ' ' O ' ' A' ' 34' ' ' TYR . 9.5 t -45.95 -151.19 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.307 0.575 . . . . 0.0 111.104 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.453 ' N ' ' OG1' ' A' ' 35' ' ' THR . 6.0 m-80 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.74 -1.124 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 stop_ save_