data_1sp2_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 1sp2 _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' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.405 -0.591 . . . . 6.71 109.405 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.73 142.01 92.56 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.219 1.946 . . . . 2.6499999999999999 110.193 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -120.52 83.93 2.14 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.285 -0.884 . . . . 2.73 109.403 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.521 ' HG3' ' CG ' ' A' ' 13' ' ' ARG . 8.6 ttm -114.01 157.85 21.96 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.267 -0.896 . . . . 3.2000000000000002 109.521 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 39.1 t -85.48 140.63 30.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.284 -0.885 . . . . 1.49 109.372 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 89.0 m -99.19 83.76 2.91 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.249 -0.907 . . . . 2.6899999999999999 109.619 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -154.47 158.8 40.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.134 -0.979 . . . . 1.74 109.405 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 9' ' ' TYR . 26.2 p -86.04 142.24 28.88 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.259 -0.901 . . . . 2.1800000000000002 109.696 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.489 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.1 OUTLIER 75.82 5.15 3.91 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.247 -0.908 . . . . 3.25 109.713 179.781 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.514 ' SG ' ' N ' ' A' ' 11' ' ' GLY . 4.9 t -104.24 -93.3 0.35 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.188 -0.945 . . . . 0.87 109.385 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.514 ' N ' ' SG ' ' A' ' 10' ' ' CYS . . . 69.78 59.66 5.44 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.583 -1.407 . . . . 0.81000000000000005 109.583 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -120.75 132.64 55.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.211 -1.17 . . . . 3.0299999999999998 109.362 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.521 ' CG ' ' HG3' ' A' ' 4' ' ' MET . 17.3 mtp180 -100.37 161.48 13.57 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.222 -0.924 . . . . 3.9300000000000002 109.674 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.546 ' CE2' HD22 ' A' ' 20' ' ' LEU . 60.2 m-85 -144.81 168.7 19.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.296 -0.878 . . . . 2.2400000000000002 109.376 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.448 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 5.4 m -104.14 21.68 16.06 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.197 -0.94 . . . . 2.27 109.381 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 15' ' ' THR . 2.6 tpt180 179.35 120.49 0.05 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.269 -0.895 . . . . 3.5800000000000001 109.544 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -46.45 -24.54 0.52 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.15 -0.969 . . . . 2.0600000000000001 109.594 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.403 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 38.6 t70 -48.01 -51.52 23.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.179 -0.95 . . . . 1.8899999999999999 109.302 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -31.1 72.17 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.195 -0.94 . . . . 1.95 109.387 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.546 HD22 ' CE2' ' A' ' 14' ' ' PHE . 6.9 mt -67.81 -21.86 65.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.255 -0.903 . . . . 1.2 109.591 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.403 ' NE2' ' HA ' ' A' ' 18' ' ' ASP . 1.6 mt-30 -70.02 -57.93 4.42 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.223 -0.923 . . . . 2.0299999999999998 109.696 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.52 -12.01 61.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.179 -0.95 . . . . 5.1699999999999999 109.589 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -82.81 -42.71 17.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.224 -0.923 . . . . 0.93999999999999995 109.749 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -66.0 -16.96 64.36 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.359 -0.838 . . . . 3.6800000000000002 109.909 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -81.73 -16.57 50.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.175 -0.953 . . . . 4.7800000000000002 109.475 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.5 m -93.77 0.89 56.55 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.404 -0.81 . . . . 2.4100000000000001 109.351 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -93.4 -34.01 13.62 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.303 -0.873 . . . . 1.6299999999999999 109.531 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -127.59 62.9 1.37 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.23 -0.919 . . . . 4.0099999999999998 109.643 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 30' ' ' GLU . . . -86.85 -130.88 2.99 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.462 -1.455 . . . . 3.4399999999999999 109.462 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 29' ' ' GLY . 2.0 mp0 43.7 81.38 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.207 -1.172 . . . . 7.0099999999999998 109.579 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.036 -0.983 . . . . 9.2699999999999996 109.418 179.933 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.405 -0.591 . . . . 5.9500000000000002 109.405 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.73 142.01 92.56 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.219 1.946 . . . . 2.3700000000000001 110.193 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -120.52 83.93 2.14 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.285 -0.884 . . . . 1.9199999999999999 109.403 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.529 ' HG3' ' CG ' ' A' ' 13' ' ' ARG . 8.6 ttm -114.01 157.85 21.96 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.267 -0.896 . . . . 2.6200000000000001 109.521 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 39.1 t -85.48 140.63 30.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.284 -0.885 . . . . 1.49 109.372 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 89.0 m -99.19 83.76 2.91 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.249 -0.907 . . . . 2.1099999999999999 109.619 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -154.47 158.8 40.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.134 -0.979 . . . . 1.47 109.405 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 9' ' ' TYR . 26.2 p -86.04 142.24 28.88 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.259 -0.901 . . . . 1.8200000000000001 109.696 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.489 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.1 OUTLIER 75.82 5.15 3.91 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.247 -0.908 . . . . 3.0600000000000001 109.713 179.781 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.514 ' SG ' ' N ' ' A' ' 11' ' ' GLY . 4.9 t -104.24 -93.3 0.35 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.188 -0.945 . . . . 0.80000000000000004 109.385 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.514 ' N ' ' SG ' ' A' ' 10' ' ' CYS . . . 69.78 59.66 5.44 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.583 -1.407 . . . . 0.73999999999999999 109.583 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -120.75 132.64 55.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.211 -1.17 . . . . 2.5099999999999998 109.362 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.529 ' CG ' ' HG3' ' A' ' 4' ' ' MET . 17.3 mtp180 -100.37 161.48 13.57 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.222 -0.924 . . . . 3.27 109.674 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.478 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 60.2 m-85 -144.81 168.7 19.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.296 -0.878 . . . . 1.3600000000000001 109.376 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 5.4 m -104.14 21.68 16.06 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.197 -0.94 . . . . 1.7 109.381 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' A' ' 15' ' ' THR . 2.6 tpt180 179.35 120.49 0.05 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.269 -0.895 . . . . 3.0699999999999998 109.544 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -46.45 -24.54 0.52 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.15 -0.969 . . . . 1.6599999999999999 109.594 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -48.01 -51.52 23.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.179 -0.95 . . . . 1.8899999999999999 109.302 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -31.1 72.17 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.195 -0.94 . . . . 1.95 109.387 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 20' ' ' LEU . 6.9 mt -67.81 -21.86 65.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.255 -0.903 . . . . 0.79000000000000004 109.591 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -70.02 -57.93 4.42 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.223 -0.923 . . . . 2.0299999999999998 109.696 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.52 -12.01 61.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.179 -0.95 . . . . 4.4800000000000004 109.589 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -82.81 -42.71 17.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.224 -0.923 . . . . 0.93999999999999995 109.749 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -66.0 -16.96 64.36 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.359 -0.838 . . . . 3.3199999999999998 109.909 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -81.73 -16.57 50.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.175 -0.953 . . . . 4.2199999999999998 109.475 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.466 ' O ' HG22 ' A' ' 26' ' ' THR . 26.5 m -93.77 0.89 56.55 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.404 -0.81 . . . . 2.04 109.351 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -93.4 -34.01 13.62 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.303 -0.873 . . . . 1.6299999999999999 109.531 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -127.59 62.9 1.37 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.23 -0.919 . . . . 3.54 109.643 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 30' ' ' GLU . . . -86.85 -130.88 2.99 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.462 -1.455 . . . . 3.4399999999999999 109.462 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 29' ' ' GLY . 2.0 mp0 43.7 81.38 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.207 -1.172 . . . . 7.0099999999999998 109.579 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.036 -0.983 . . . . 8.9600000000000009 109.418 179.933 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.405 -0.591 . . . . 5.9500000000000002 109.405 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.73 142.01 92.56 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.219 1.946 . . . . 2.3700000000000001 110.193 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -120.52 83.93 2.14 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.285 -0.884 . . . . 1.9199999999999999 109.403 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.529 ' HG3' ' CG ' ' A' ' 13' ' ' ARG . 8.6 ttm -114.01 157.85 21.96 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.267 -0.896 . . . . 2.6200000000000001 109.521 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 39.1 t -85.48 140.63 30.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.284 -0.885 . . . . 1.49 109.372 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 89.0 m -99.19 83.76 2.91 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.249 -0.907 . . . . 2.1099999999999999 109.619 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -154.47 158.8 40.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.134 -0.979 . . . . 1.47 109.405 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 9' ' ' TYR . 26.2 p -86.04 142.24 28.88 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.259 -0.901 . . . . 1.8200000000000001 109.696 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.489 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.1 OUTLIER 75.82 5.15 3.91 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.247 -0.908 . . . . 3.0600000000000001 109.713 179.781 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.514 ' SG ' ' N ' ' A' ' 11' ' ' GLY . 4.9 t -104.24 -93.3 0.35 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.188 -0.945 . . . . 0.80000000000000004 109.385 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.514 ' N ' ' SG ' ' A' ' 10' ' ' CYS . . . 69.78 59.66 5.44 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.583 -1.407 . . . . 0.73999999999999999 109.583 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -120.75 132.64 55.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.211 -1.17 . . . . 2.5099999999999998 109.362 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.529 ' CG ' ' HG3' ' A' ' 4' ' ' MET . 17.3 mtp180 -100.37 161.48 13.57 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.222 -0.924 . . . . 3.27 109.674 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.478 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 60.2 m-85 -144.81 168.7 19.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.296 -0.878 . . . . 1.3600000000000001 109.376 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 5.4 m -104.14 21.68 16.06 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.197 -0.94 . . . . 1.7 109.381 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' A' ' 15' ' ' THR . 2.6 tpt180 179.35 120.49 0.05 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.269 -0.895 . . . . 3.0699999999999998 109.544 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -46.45 -24.54 0.52 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.15 -0.969 . . . . 1.6599999999999999 109.594 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.407 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 38.6 t70 -48.01 -51.52 23.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.179 -0.95 . . . . 1.8899999999999999 109.302 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -31.1 72.17 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.195 -0.94 . . . . 1.95 109.387 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 20' ' ' LEU . 6.9 mt -67.81 -21.86 65.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.255 -0.903 . . . . 0.79000000000000004 109.591 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.407 ' NE2' ' HA ' ' A' ' 18' ' ' ASP . 1.6 mt-30 -70.02 -57.93 4.42 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.223 -0.923 . . . . 2.0299999999999998 109.696 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.52 -12.01 61.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.179 -0.95 . . . . 4.4800000000000004 109.589 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -82.81 -42.71 17.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.224 -0.923 . . . . 0.93999999999999995 109.749 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -66.0 -16.96 64.36 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.359 -0.838 . . . . 3.3199999999999998 109.909 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -81.73 -16.57 50.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.175 -0.953 . . . . 4.2199999999999998 109.475 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.466 ' O ' HG22 ' A' ' 26' ' ' THR . 26.5 m -93.77 0.89 56.55 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.404 -0.81 . . . . 2.04 109.351 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -93.4 -34.01 13.62 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.303 -0.873 . . . . 1.6299999999999999 109.531 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -127.59 62.9 1.37 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.23 -0.919 . . . . 3.54 109.643 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 30' ' ' GLU . . . -86.85 -130.88 2.99 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.462 -1.455 . . . . 3.4399999999999999 109.462 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 29' ' ' GLY . 2.0 mp0 43.7 81.38 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.207 -1.172 . . . . 7.0099999999999998 109.579 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.036 -0.983 . . . . 8.9600000000000009 109.418 179.933 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_