data_1r02_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 1r02 _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' ' ' GLN . . . . . 0.475 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 9.1 tp-100 . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 111.806 0.299 . . . . 11.97 111.806 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.475 ' HD3' ' HB3' ' A' ' 1' ' ' GLN . 54.5 Cg_exo -52.14 -24.07 19.18 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.158 1.905 . . . . 10.1 112.41 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.445 ' HB3' ' HD2' ' A' ' 4' ' ' PRO . 20.1 mt 60.04 163.12 0.1 OUTLIER Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.383 -0.371 . . . . 9.21 110.479 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 3' ' ' LEU . 2.1 Cg_endo -41.55 126.29 3.02 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.877 2.385 . . . . 6.8 112.216 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -49.45 90.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.959 -0.564 . . . . 5.41 111.525 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.416 ' HB3' ' N ' ' A' ' 12' ' ' CYS . 1.2 m -93.11 63.85 3.75 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 116.133 -0.485 . . . . 3.72 110.735 179.874 -98.886 -88.246 -63.485 103.915 2.031 103.895 88.459 -117.134 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.1 m 62.73 72.5 0.49 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.032 -0.531 . . . . 5.93 110.752 -179.747 -66.487 -164.001 -124.702 103.854 2.03 103.786 136.919 -67.077 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.9 25.48 12.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.012 -0.54 . . . . 10.23 111.069 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 57.5 37.8 27.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.866 0.365 . . . . 9.36 110.869 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -90.32 24.52 2.53 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.179 -0.464 . . . . 8.73 111.519 -179.665 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 10' ' ' LYS . 0.5 OUTLIER 76.89 17.58 1.68 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.824 0.345 . . . . 6.4 111.057 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.416 ' N ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER 66.97 42.86 2.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 4.65 111.032 179.688 -117.134 88.459 -63.485 103.895 2.031 103.915 -88.246 -98.886 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.3 p -59.83 -24.46 64.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 5.7 110.816 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 87.3 m -57.99 -24.73 59.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.285 -0.416 . . . . 4.45 111.023 179.908 -67.077 136.919 -124.702 103.786 2.03 103.854 -164.001 -66.487 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -53.33 -46.92 69.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.385 -0.37 . . . . 8.29 110.816 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mp -71.21 -39.86 71.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 6.71 110.499 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -72.66 -12.95 61.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.972 -0.558 . . . . 10.44 111.275 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.432 ' HA ' ' CE1' ' A' ' 21' ' ' HIS . 12.5 mt-10 -78.64 -55.3 5.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.238 -0.437 . . . . 6.26 110.806 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mp -68.32 -17.89 64.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.23 -0.441 . . . . 5.2 110.876 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.5 mt -80.23 -34.99 36.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.405 -0.361 . . . . 7.3 111.165 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.443 ' CD2' ' N ' ' A' ' 22' ' ' GLY . 3.7 p-80 -98.6 -41.53 7.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.351 -0.386 . . . . 10.08 111.094 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.443 ' N ' ' CD2' ' A' ' 21' ' ' HIS . . . -77.49 -62.63 2.38 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 5.65 112.583 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.62 36.61 2.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 4.07 111.01 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.14 37.07 3.72 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.887 -0.673 . . . . 3.89 112.551 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.53 -24.72 14.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.894 0.378 . . . . 6.77 110.867 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -83.42 -33.08 25.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 7.94 110.822 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.44 -43.16 27.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 4.34 110.99 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.87 92.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.511 . . . . 3.66 111.06 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.96 -27.91 57.42 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.721 -0.752 . . . . 4.94 112.55 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.0 mt -87.7 -30.17 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 7.69 111.069 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 tt -77.01 -6.49 52.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 8.47 111.349 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.0 m -98.84 28.37 4.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.784 0.326 . . . . 6.06 111.068 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.339 -0.839 . . . . 8.84 111.008 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLN . . . . . 0.488 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 9.1 tp-100 . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 111.806 0.299 . . . . 11.970000000000001 111.806 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.488 ' HD3' ' HB3' ' A' ' 1' ' ' GLN . 54.5 Cg_exo -52.14 -24.07 19.18 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.158 1.905 . . . . 9.4100000000000001 112.41 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.438 ' HB3' ' HD2' ' A' ' 4' ' ' PRO . 20.1 mt 60.04 163.12 0.1 OUTLIER Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.383 -0.371 . . . . 8.9100000000000001 110.479 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 3' ' ' LEU . 2.1 Cg_endo -41.55 126.29 3.02 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.877 2.385 . . . . 5.9699999999999998 112.216 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -49.45 90.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.959 -0.564 . . . . 5.4100000000000001 111.525 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.43 ' HB3' ' N ' ' A' ' 12' ' ' CYS . 1.2 m -93.11 63.85 3.75 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 116.133 -0.485 . . . . 3.7200000000000002 110.735 179.874 -98.886 -88.246 -63.485 103.915 2.031 103.895 88.459 -117.134 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.1 m 62.73 72.5 0.49 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.032 -0.531 . . . . 5.9299999999999997 110.752 -179.747 -66.487 -164.001 -124.702 103.854 2.03 103.786 136.919 -67.077 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.9 25.48 12.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.012 -0.54 . . . . 9.7400000000000002 111.069 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 57.5 37.8 27.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.866 0.365 . . . . 8.6500000000000004 110.869 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.623 ' O ' HG22 ' A' ' 11' ' ' THR . 0.0 OUTLIER -90.32 24.52 2.53 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.179 -0.464 . . . . 8.3100000000000005 111.519 -179.665 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 10' ' ' LYS . 0.5 OUTLIER 76.89 17.58 1.68 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.824 0.345 . . . . 6.0499999999999998 111.057 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.43 ' N ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER 66.97 42.86 2.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 4.4500000000000002 111.032 179.688 -117.134 88.459 -63.485 103.895 2.031 103.915 -88.246 -98.886 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.3 p -59.83 -24.46 64.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 5.4400000000000004 110.816 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 87.3 m -57.99 -24.73 59.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.285 -0.416 . . . . 3.9399999999999999 111.023 179.908 -67.077 136.919 -124.702 103.786 2.03 103.854 -164.001 -66.487 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -53.33 -46.92 69.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.385 -0.37 . . . . 7.5800000000000001 110.816 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mp -71.21 -39.86 71.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 6.3300000000000001 110.499 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -72.66 -12.95 61.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.972 -0.558 . . . . 10.050000000000001 111.275 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.443 ' HA ' ' CE1' ' A' ' 21' ' ' HIS . 12.5 mt-10 -78.64 -55.3 5.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.238 -0.437 . . . . 6.2599999999999998 110.806 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mp -68.32 -17.89 64.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.23 -0.441 . . . . 4.7400000000000002 110.876 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.5 mt -80.23 -34.99 36.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.405 -0.361 . . . . 6.9500000000000002 111.165 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.443 ' CE1' ' HA ' ' A' ' 18' ' ' GLU . 3.7 p-80 -98.6 -41.53 7.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.351 -0.386 . . . . 9.3000000000000007 111.094 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.443 ' N ' ' CD2' ' A' ' 21' ' ' HIS . . . -77.49 -62.63 2.38 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 5.0800000000000001 112.583 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.62 36.61 2.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 3.7000000000000002 111.01 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.14 37.07 3.72 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.887 -0.673 . . . . 3.1600000000000001 112.551 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.53 -24.72 14.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.894 0.378 . . . . 6.0999999999999996 110.867 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -83.42 -33.08 25.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 7.1500000000000004 110.822 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.44 -43.16 27.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 4.1100000000000003 110.99 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.87 92.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.511 . . . . 3.5499999999999998 111.06 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.96 -27.91 57.42 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.721 -0.752 . . . . 4.9400000000000004 112.55 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.0 mt -87.7 -30.17 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 7.2999999999999998 111.069 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.653 HD23 ' O ' ' A' ' 31' ' ' LEU . 8.4 tt -77.01 -6.49 52.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 8.0899999999999999 111.349 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.565 ' O ' HG22 ' A' ' 32' ' ' THR . 28.0 m -98.84 28.37 4.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.784 0.326 . . . . 5.7999999999999998 111.068 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.339 -0.839 . . . . 8.4800000000000004 111.008 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . 0.488 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 9.1 tp-100 . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 111.806 0.299 . . . . 11.97 111.806 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.488 ' HD3' ' HB3' ' A' ' 1' ' ' GLN . 54.5 Cg_exo -52.14 -24.07 19.18 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.158 1.905 . . . . 9.41 112.41 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.438 ' HB3' ' HD2' ' A' ' 4' ' ' PRO . 20.1 mt 60.04 163.12 0.1 OUTLIER Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.383 -0.371 . . . . 8.91 110.479 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 3' ' ' LEU . 2.1 Cg_endo -41.55 126.29 3.02 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.877 2.385 . . . . 5.97 112.216 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -49.45 90.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.959 -0.564 . . . . 5.41 111.525 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.43 ' HB3' ' N ' ' A' ' 12' ' ' CYS . 1.2 m -93.11 63.85 3.75 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 116.133 -0.485 . . . . 3.72 110.735 179.874 -98.886 -88.246 -63.485 103.915 2.031 103.895 88.459 -117.134 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.1 m 62.73 72.5 0.49 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.032 -0.531 . . . . 5.93 110.752 -179.747 -66.487 -164.001 -124.702 103.854 2.03 103.786 136.919 -67.077 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.9 25.48 12.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.012 -0.54 . . . . 9.74 111.069 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 57.5 37.8 27.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.866 0.365 . . . . 8.65 110.869 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.623 ' O ' HG22 ' A' ' 11' ' ' THR . 0.0 OUTLIER -90.32 24.52 2.53 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.179 -0.464 . . . . 8.31 111.519 -179.665 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 10' ' ' LYS . 0.5 OUTLIER 76.89 17.58 1.68 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.824 0.345 . . . . 6.05 111.057 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.43 ' N ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER 66.97 42.86 2.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 4.45 111.032 179.688 -117.134 88.459 -63.485 103.895 2.031 103.915 -88.246 -98.886 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.3 p -59.83 -24.46 64.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 5.44 110.816 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 87.3 m -57.99 -24.73 59.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.285 -0.416 . . . . 3.94 111.023 179.908 -67.077 136.919 -124.702 103.786 2.03 103.854 -164.001 -66.487 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -53.33 -46.92 69.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.385 -0.37 . . . . 7.58 110.816 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mp -71.21 -39.86 71.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 6.33 110.499 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -72.66 -12.95 61.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.972 -0.558 . . . . 10.05 111.275 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.443 ' HA ' ' CE1' ' A' ' 21' ' ' HIS . 12.5 mt-10 -78.64 -55.3 5.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.238 -0.437 . . . . 6.26 110.806 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mp -68.32 -17.89 64.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.23 -0.441 . . . . 4.74 110.876 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.5 mt -80.23 -34.99 36.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.405 -0.361 . . . . 6.95 111.165 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.443 ' CE1' ' HA ' ' A' ' 18' ' ' GLU . 3.7 p-80 -98.6 -41.53 7.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.351 -0.386 . . . . 9.3 111.094 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.443 ' N ' ' CD2' ' A' ' 21' ' ' HIS . . . -77.49 -62.63 2.38 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 5.08 112.583 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.62 36.61 2.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 3.7 111.01 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.14 37.07 3.72 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.887 -0.673 . . . . 3.16 112.551 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.53 -24.72 14.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.894 0.378 . . . . 6.1 110.867 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -83.42 -33.08 25.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 7.15 110.822 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.44 -43.16 27.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 4.11 110.99 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.87 92.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.511 . . . . 3.55 111.06 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.96 -27.91 57.42 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.721 -0.752 . . . . 4.94 112.55 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.0 mt -87.7 -30.17 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 7.3 111.069 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.653 HD23 ' O ' ' A' ' 31' ' ' LEU . 8.4 tt -77.01 -6.49 52.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 8.09 111.349 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.565 HG22 ' O ' ' A' ' 32' ' ' THR . 28.0 m -98.84 28.37 4.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.784 0.326 . . . . 5.8 111.068 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.339 -0.839 . . . . 8.48 111.008 -180.0 . . . . . . . . 0 0 . 1 stop_ save_