data_2pde_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 2pde _Structure_validation_residue.Date_analyzed 2016-10-08 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' ' ' VAL . . . . . 1.588 HG21 ' CB ' ' A' ' 1' ' ' VAL 2.274 1.6 t . . . . . 3 CA--C 2.892 52.574 2 CA-C-O 67.6 -25.0 . . . . 0.0 66.216 . . . . . . . . . 4 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 1.599 ' CG1' ' HB ' ' A' ' 2' ' ' ILE 2.033 0.2 OUTLIER -179.74 163.76 0.08 OUTLIER 'Isoleucine or valine' 3 CA--C 5.248 143.211 4 CA-C-O 57.456 -29.831 . . . . 0.0 151.443 101.703 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 1.622 ' H ' ' CA ' ' A' ' 3' ' ' ALA 4.553 . . . . . . . 4 N--CA 8.152 334.674 3 C-N-CA 4.132 -47.027 . . . . 0.0 107.171 144.754 . . . . . . . . 4 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 1.638 ' HG3' ' SD ' ' A' ' 4' ' ' MET 2.337 2.6 tpp . . . . . 3 CA--C 5.14 139.029 2 N-CA-C 52.743 -21.577 . . . . 0.0 52.743 . . . . . . . . . 4 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 1.599 ' CB ' ' HA ' ' A' ' 5' ' ' PRO 3.45 0.0 OUTLIER 163.67 36.16 0.0 OUTLIER 'Cis proline' 4 CA--C 4.56 151.794 3 N-CA-C 82.867 -11.244 . . . . 0.0 82.867 19.592 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 1.625 ' CB ' ' HA ' ' A' ' 6' ' ' SER 7.181 0.1 OUTLIER -161.25 -75.87 0.06 Allowed 'General case' 3 CA--C 7.094 214.21 3 CA-C-O 157.098 17.618 . . . . 0.0 64.151 156.105 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 1.545 ' CG1' HG22 ' A' ' 7' ' ' VAL 2.499 0.9 OUTLIER 79.98 -19.21 0.0 OUTLIER 'Isoleucine or valine' 4 CA--C 5.572 155.639 5 C-N-CA 27.079 -37.848 . . . . 0.0 94.582 58.059 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 1.541 ' CD ' ' HD3' ' A' ' 8' ' ' ARG 2.882 0.0 OUTLIER -3.65 -73.96 0.0 OUTLIER 'General case' 3 CA--C 8.574 271.128 4 C-N-CA 31.945 -35.902 . . . . 0.0 90.139 -120.773 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 1.621 ' CA ' ' H ' ' A' ' 9' ' ' LYS 4.546 0.0 OUTLIER -25.92 -28.72 0.0 OUTLIER 'General case' 4 N--CA 6.579 255.975 3 C-N-CA 26.766 -37.973 . . . . 0.0 99.306 -50.038 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 1.612 ' CA ' ' H ' ' A' ' 10' ' ' TYR 4.494 15.9 t80 . . . . . 4 N--CA 7.181 286.115 4 CA-C-O 26.335 -44.65 . . . . 0.0 104.874 5.118 . . . . . . . . 4 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 1.593 ' CB ' ' HA ' ' A' ' 11' ' ' ALA 5.959 . . . . . . . 3 CA--C 7.075 213.471 2 N-CA-C 72.356 -14.312 . . . . 0.0 72.356 . . . . . . . . . 4 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 1.586 ' HG3' ' CD ' ' A' ' 12' ' ' ARG 0.946 0.0 OUTLIER . . . . . 3 CA--C 9.024 288.438 2 CA-C-O 47.351 -34.642 . . . . 0.0 95.846 . . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 1.562 ' HB3' ' CG ' ' A' ' 13' ' ' GLU 2.813 1.0 OUTLIER . . . . . 3 CA--C 5.109 137.835 2 CA-C-O 73.286 -22.292 . . . . 0.0 162.963 . . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 1.557 ' CD ' ' HG2' ' A' ' 14' ' ' LYS 3.077 0.0 OUTLIER . . . . . 3 CA--C 9.569 309.376 2 N-CA-C 19.984 -33.71 . . . . 0.0 19.984 . . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 1.485 ' H ' ' C ' ' A' ' 14' ' ' LYS . . . . . . . . 4 C--O 5.4 260.499 5 CA-C-O 8.068 -62.518 . . . . 0.0 76.22 -11.119 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 1.599 ' CG1' HG21 ' A' ' 16' ' ' VAL 3.662 1.1 t . . . . . 3 C--O 4.159 154.235 1 CA-C-O 50.994 -32.908 . . . . 0.0 105.52 . . . . . . . . . 4 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 1.603 ' HA ' ' CB ' ' A' ' 17' ' ' ASP 3.849 0.0 OUTLIER . . . . . 3 CA--C 4.667 120.862 2 N-CA-C 72.906 -14.109 . . . . 0.0 72.906 . . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 1.547 ' CG2' HG12 ' A' ' 18' ' ' ILE 6.166 0.4 OUTLIER . . . . . 3 CA--C 11.428 380.899 1 N-CA-C 57.611 -19.774 . . . . 0.0 57.611 . . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 1.606 ' CA ' ' HB3' ' A' ' 19' ' ' ARG 1.155 0.0 OUTLIER 35.74 -114.73 0.09 Allowed 'General case' 3 CA--C 10.503 345.298 5 C-N-CA 39.558 -32.857 . . . . 0.0 44.391 -117.078 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 1.597 ' H ' ' CA ' ' A' ' 20' ' ' LEU 2.719 0.2 OUTLIER -66.83 -173.35 0.23 Allowed 'General case' 4 CA--C 7.146 216.202 5 N-CA-C 3.504 -39.814 . . . . 0.0 3.504 -82.31 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 1.582 ' H ' ' CA ' ' A' ' 21' ' ' VAL 4.15 1.0 OUTLIER . . . . . 4 CA--C 5.216 141.945 5 CA-C-O 5.646 -54.502 . . . . 0.0 80.93 162.598 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 1.6 ' H ' ' CA ' ' A' ' 22' ' ' GLN 3.881 1.3 mm-40 . . . . . 3 CA--C 4.869 128.597 1 CA-C-O 50.27 -33.253 . . . . 0.0 100.207 . . . . . . . . . 4 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 1.523 ' H ' ' CA ' ' A' ' 23' ' ' GLY . . . . . . . . 4 CA--C 8.649 445.953 4 C-N-CA 63.387 -28.054 . . . . 0.0 55.405 117.214 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 1.56 ' CB ' ' HA ' ' A' ' 24' ' ' THR 4.474 4.9 t . . . . . 3 C--O 3.885 139.786 2 CA-C-O 28.595 -43.574 . . . . 0.0 98.57 . . . . . . . . . 4 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 1.521 ' CA ' ' H ' ' A' ' 25' ' ' GLY . . . . . . . . 3 N--CA 3.116 110.691 2 N-CA-C 85.846 -10.902 . . . . 0.0 85.846 . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 1.592 ' CB ' ' HA ' ' A' ' 26' ' ' LYS 3.601 0.0 OUTLIER -2.89 -43.19 0.0 OUTLIER 'General case' 4 CA--C 7.358 224.337 5 C-N-CA 29.469 -36.893 . . . . 0.0 78.367 -102.656 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 1.581 ' CA ' ' H ' ' A' ' 27' ' ' ASN 2.215 0.4 OUTLIER . . . . . 4 CA--C 5.082 136.81 4 N-CA-C 14.567 -35.716 . . . . 0.0 14.567 -102.358 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 1.573 ' H ' ' CA ' ' A' ' 28' ' ' GLY . . . . . . . . 3 CA--C 3.067 97.056 2 CA-C-O 59.633 -33.87 . . . . 0.0 47.503 . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 1.646 ' HE ' ' CZ ' ' A' ' 29' ' ' ARG 1.899 0.0 OUTLIER . . . . . 3 CA--C 10.119 330.556 2 N-CA-C 55.686 -20.487 . . . . 0.0 55.686 . . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 1.649 HG22 ' CB ' ' A' ' 38' ' ' PHE 3.553 50.4 t . . . . . 3 CA--C 4.35 108.644 2 CA-C-O 52.828 -32.034 . . . . 0.0 35.993 . . . . . . . . . 4 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 1.573 HD22 ' CA ' ' A' ' 38' ' ' PHE 0.584 0.0 OUTLIER . . . . . 3 CA--C 4.821 126.757 4 CA-C-N 164.113 21.324 . . . . 0.0 78.549 73.984 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 1.589 ' HG3' ' CD ' ' A' ' 32' ' ' LYS 4.094 0.0 OUTLIER . . . . . 3 CA--C 4.28 105.972 2 CA-C-O 57.771 -29.68 . . . . 0.0 40.421 . . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 1.594 ' CG ' ' HB3' ' A' ' 33' ' ' GLU 4.386 5.9 tp10 . . . . . 3 CA--C 4.828 127.029 2 CA-C-O 74.57 -21.681 . . . . 0.0 96.934 . . . . . . . . . 4 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 1.601 ' H ' ' CA ' ' A' ' 34' ' ' ASP 14.63 0.1 OUTLIER 171.16 13.89 0.0 OUTLIER 'General case' 3 CA--C 11.672 390.285 5 O-C-N 60.013 -39.179 . . . . 0.0 71.914 23.031 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 1.504 ' CB ' ' H ' ' A' ' 30' ' ' VAL . 6.1 mt -70.69 -31.36 45.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 1 CA-C-N 83.171 -15.468 . . . . 0.0 110.729 -10.265 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 1.076 ' CG ' ' CA ' ' A' ' 27' ' ' ASN . 15.9 t70 -52.01 -41.07 61.93 Favored 'General case' 0 C--N 1.31 -1.147 0 C-N-CA 118.954 -1.099 . . . . 0.0 110.085 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 1.54 ' CB ' ' HA3' ' A' ' 28' ' ' GLY . . . -73.24 -33.36 65.26 Favored 'General case' 0 C--N 1.305 -1.338 0 C-N-CA 119.675 -0.81 . . . . 0.0 110.67 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 1.649 ' CB ' HG22 ' A' ' 30' ' ' VAL . 68.3 t80 -44.73 -71.24 0.08 Allowed 'General case' 0 C--N 1.309 -1.174 0 C-N-CA 119.378 -0.929 . . . . 0.0 111.803 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 1.395 ' N ' ' N ' ' A' ' 31' ' ' LEU . 31.9 tp -66.82 -58.15 5.62 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.486 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 1.191 ' N ' ' HB3' ' A' ' 31' ' ' LEU . . . -46.36 101.0 0.02 OUTLIER 'General case' 0 C--N 1.308 -1.204 0 C-N-CA 119.303 -0.959 . . . . 0.0 111.113 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.86 19.84 8.97 Favored Glycine 0 N--CA 1.494 2.502 0 C-N-CA 119.541 -1.314 . . . . 0.0 110.523 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.46 164.96 45.93 Favored Glycine 0 N--CA 1.494 2.551 0 C-N-CA 119.596 -1.287 . . . . 0.0 110.316 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.454 0 C-N-CA 119.454 -0.898 . . . . 0.0 110.825 -179.925 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 1.557 ' HA ' ' CG1' ' A' ' 1' ' ' VAL 2.274 1.6 t . . . . . 3 CA--C 2.892 52.574 2 CA-C-O 67.6 -25.0 . . . . 0.0 66.216 . . . . . . . . . 4 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 1.242 ' CA ' ' CG1' ' A' ' 2' ' ' ILE 2.033 0.2 OUTLIER -179.74 163.76 0.08 OUTLIER 'Isoleucine or valine' 3 CA--C 5.248 143.211 4 CA-C-O 57.456 -29.831 . . . . 0.0 151.443 101.703 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 1.239 ' O ' ' C ' ' A' ' 3' ' ' ALA 4.553 . . . . . . . 4 N--CA 8.152 334.674 3 C-N-CA 4.132 -47.027 . . . . 0.0 107.171 144.754 . . . . . . . . 4 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . 1.3 ' CG ' ' SD ' ' A' ' 4' ' ' MET 2.337 2.6 tpp . . . . . 3 CA--C 5.14 139.029 2 N-CA-C 52.743 -21.577 . . . . 0.0 52.743 . . . . . . . . . 4 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 1.399 ' CA ' ' HB2' ' A' ' 6' ' ' SER 3.45 0.0 OUTLIER 163.67 36.16 0.0 OUTLIER 'Cis proline' 4 CA--C 4.56 151.794 3 N-CA-C 82.867 -11.244 . . . . 0.0 82.867 19.592 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 1.541 ' CB ' ' HB2' ' A' ' 9' ' ' LYS 7.181 0.1 OUTLIER -161.25 -75.87 0.06 Allowed 'General case' 3 CA--C 7.094 214.21 3 CA-C-O 157.098 17.618 . . . . 0.0 64.151 156.105 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.538 ' CG1' HG21 ' A' ' 7' ' ' VAL 2.499 0.9 OUTLIER 79.98 -19.21 0.0 OUTLIER 'Isoleucine or valine' 4 CA--C 5.572 155.639 5 C-N-CA 27.079 -37.848 . . . . 0.0 94.582 58.059 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 1.276 ' HD2' ' CB ' ' A' ' 10' ' ' TYR 2.882 0.0 OUTLIER -3.65 -73.96 0.0 OUTLIER 'General case' 3 CA--C 8.574 271.128 4 C-N-CA 31.945 -35.902 . . . . 0.0 90.139 -120.773 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 1.541 ' HB2' ' CB ' ' A' ' 6' ' ' SER 4.546 0.0 OUTLIER -25.92 -28.72 0.0 OUTLIER 'General case' 4 N--CA 6.579 255.975 3 C-N-CA 26.766 -37.973 . . . . 0.0 99.306 -50.038 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 1.448 ' N ' ' C ' ' A' ' 9' ' ' LYS 4.494 15.9 t80 . . . . . 4 N--CA 7.181 286.115 4 CA-C-O 26.335 -44.65 . . . . 0.0 104.874 5.118 . . . . . . . . 4 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.051 ' CB ' ' CE1' ' A' ' 10' ' ' TYR 5.959 . . . . . . . 3 CA--C 7.075 213.471 2 N-CA-C 72.356 -14.312 . . . . 0.0 72.356 . . . . . . . . . 4 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 1.265 ' CD ' ' CG ' ' A' ' 12' ' ' ARG 0.946 0.0 OUTLIER . . . . . 3 CA--C 9.024 288.438 2 CA-C-O 47.351 -34.642 . . . . 0.0 95.846 . . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 1.487 ' HB2' ' CD ' ' A' ' 14' ' ' LYS 2.813 1.0 OUTLIER . . . . . 3 CA--C 5.109 137.835 2 CA-C-O 73.286 -22.292 . . . . 0.0 162.963 . . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 1.487 ' CD ' ' HB2' ' A' ' 13' ' ' GLU 3.077 0.0 OUTLIER . . . . . 3 CA--C 9.569 309.376 2 N-CA-C 19.984 -33.71 . . . . 0.0 19.984 . . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 1.114 ' O ' ' CA ' ' A' ' 16' ' ' VAL . . . . . . . . 4 C--O 5.4 260.499 5 CA-C-O 8.068 -62.518 . . . . 0.0 76.22 -11.119 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.538 ' CB ' ' HD3' ' A' ' 32' ' ' LYS 3.662 1.1 t . . . . . 3 C--O 4.159 154.235 1 CA-C-O 50.994 -32.908 . . . . 0.0 105.52 . . . . . . . . . 4 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 1.235 ' CB ' ' CB ' ' A' ' 18' ' ' ILE 3.849 0.0 OUTLIER . . . . . 3 CA--C 4.667 120.862 2 N-CA-C 72.906 -14.109 . . . . 0.0 72.906 . . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 1.407 HG23 ' CZ ' ' A' ' 29' ' ' ARG 6.166 0.4 OUTLIER . . . . . 3 CA--C 11.428 380.899 1 N-CA-C 57.611 -19.774 . . . . 0.0 57.611 . . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 1.26 HH12 ' N ' ' A' ' 20' ' ' LEU 1.155 0.0 OUTLIER 35.74 -114.73 0.09 Allowed 'General case' 3 CA--C 10.503 345.298 5 C-N-CA 39.558 -32.857 . . . . 0.0 44.391 -117.078 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.335 ' N ' ' CD1' ' A' ' 20' ' ' LEU 2.719 0.2 OUTLIER -66.83 -173.35 0.23 Allowed 'General case' 4 CA--C 7.146 216.202 5 N-CA-C 3.504 -39.814 . . . . 0.0 3.504 -82.31 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.438 HG12 ' C ' ' A' ' 21' ' ' VAL 4.15 1.0 OUTLIER . . . . . 4 CA--C 5.216 141.945 5 CA-C-O 5.646 -54.502 . . . . 0.0 80.93 162.598 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 1.344 ' NE2' ' CD ' ' A' ' 22' ' ' GLN 3.881 0.0 OUTLIER . . . . . 3 CA--C 4.869 128.597 1 CA-C-O 50.27 -33.253 . . . . 0.0 100.207 . . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.985 ' O ' ' CA ' ' A' ' 24' ' ' THR . . . . . . . . 4 CA--C 8.649 445.953 4 C-N-CA 63.387 -28.054 . . . . 0.0 55.405 117.214 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 1.405 ' CA ' ' OD2' ' A' ' 34' ' ' ASP 4.474 4.9 t . . . . . 3 C--O 3.885 139.786 2 CA-C-O 28.595 -43.574 . . . . 0.0 98.57 . . . . . . . . . 4 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 1.498 ' CA ' ' CB ' ' A' ' 34' ' ' ASP . . . . . . . . 3 N--CA 3.116 110.691 2 N-CA-C 85.846 -10.902 . . . . 0.0 85.846 . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 1.25 ' CA ' ' CG ' ' A' ' 26' ' ' LYS 3.601 0.0 OUTLIER -2.89 -43.19 0.0 OUTLIER 'General case' 4 CA--C 7.358 224.337 5 C-N-CA 29.469 -36.893 . . . . 0.0 78.367 -102.656 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 1.222 ' CB ' ' CA ' ' A' ' 27' ' ' ASN 2.215 0.4 OUTLIER . . . . . 4 CA--C 5.082 136.81 4 N-CA-C 14.567 -35.716 . . . . 0.0 14.567 -102.358 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 1.261 ' C ' ' HB2' ' A' ' 37' ' ' ALA . . . . . . . . 3 CA--C 3.067 97.056 2 CA-C-O 59.633 -33.87 . . . . 0.0 47.503 . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 1.534 ' NE ' ' CB ' ' A' ' 34' ' ' ASP 1.899 0.0 OUTLIER . . . . . 3 CA--C 10.119 330.556 2 N-CA-C 55.686 -20.487 . . . . 0.0 55.686 . . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 1.349 ' C ' ' CB ' ' A' ' 38' ' ' PHE 3.553 50.4 t . . . . . 3 CA--C 4.35 108.644 2 CA-C-O 52.828 -32.034 . . . . 0.0 35.993 . . . . . . . . . 4 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 1.522 ' HA ' ' CG ' ' A' ' 31' ' ' LEU 0.584 0.0 OUTLIER . . . . . 3 CA--C 4.821 126.757 4 CA-C-N 164.113 21.324 . . . . 0.0 78.549 73.984 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 1.538 ' HD3' ' CB ' ' A' ' 16' ' ' VAL 4.094 0.0 OUTLIER . . . . . 3 CA--C 4.28 105.972 2 CA-C-O 57.771 -29.68 . . . . 0.0 40.421 . . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 1.338 ' CA ' ' CE2' ' A' ' 38' ' ' PHE 4.386 5.9 tp10 . . . . . 3 CA--C 4.828 127.029 2 CA-C-O 74.57 -21.681 . . . . 0.0 96.934 . . . . . . . . . 4 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 1.534 ' CB ' ' NE ' ' A' ' 29' ' ' ARG 14.63 0.1 OUTLIER 171.16 13.89 0.0 OUTLIER 'General case' 3 CA--C 11.672 390.285 5 O-C-N 60.013 -39.179 . . . . 0.0 71.914 23.031 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 1.5 ' CA ' ' NH1' ' A' ' 29' ' ' ARG . 6.1 mt -70.69 -31.36 45.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 1 CA-C-N 83.171 -15.468 . . . . 0.0 110.729 -10.265 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 1.076 ' CG ' ' CA ' ' A' ' 27' ' ' ASN . 15.9 t70 -52.01 -41.07 61.93 Favored 'General case' 0 C--N 1.31 -1.147 0 C-N-CA 118.954 -1.099 . . . . 0.0 110.085 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.261 ' HB2' ' C ' ' A' ' 28' ' ' GLY . . . -73.24 -33.36 65.26 Favored 'General case' 0 C--N 1.305 -1.338 0 C-N-CA 119.675 -0.81 . . . . 0.0 110.67 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 1.5 ' CD1' ' CG ' ' A' ' 32' ' ' LYS . 68.3 t80 -44.73 -71.24 0.08 Allowed 'General case' 0 C--N 1.309 -1.174 0 C-N-CA 119.378 -0.929 . . . . 0.0 111.803 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.395 ' N ' ' N ' ' A' ' 31' ' ' LEU . 31.9 tp -66.82 -58.15 5.62 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.486 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.765 ' O ' ' CG ' ' A' ' 31' ' ' LEU . . . -46.36 101.0 0.02 OUTLIER 'General case' 0 C--N 1.308 -1.204 0 C-N-CA 119.303 -0.959 . . . . 0.0 111.113 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.86 19.84 8.97 Favored Glycine 0 N--CA 1.494 2.502 0 C-N-CA 119.541 -1.314 . . . . 0.0 110.523 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.46 164.96 45.93 Favored Glycine 0 N--CA 1.494 2.551 0 C-N-CA 119.596 -1.287 . . . . 0.0 110.316 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.454 0 C-N-CA 119.454 -0.898 . . . . 0.0 110.825 -179.925 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 1.557 ' HA ' ' CG1' ' A' ' 1' ' ' VAL 2.274 1.6 t . . . . . 3 CA--C 2.892 52.574 2 CA-C-O 67.6 -25.0 . . . . 0.0 66.216 . . . . . . . . . 4 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 1.242 ' CA ' ' CG1' ' A' ' 2' ' ' ILE 2.033 0.2 OUTLIER -179.74 163.76 0.08 OUTLIER 'Isoleucine or valine' 3 CA--C 5.248 143.211 4 CA-C-O 57.456 -29.831 . . . . 0.0 151.443 101.703 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 1.239 ' O ' ' C ' ' A' ' 3' ' ' ALA 4.553 . . . . . . . 4 N--CA 8.152 334.674 3 C-N-CA 4.132 -47.027 . . . . 0.0 107.171 144.754 . . . . . . . . 4 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 1.3 ' CG ' ' SD ' ' A' ' 4' ' ' MET 2.337 2.6 tpp . . . . . 3 CA--C 5.14 139.029 2 N-CA-C 52.743 -21.577 . . . . 0.0 52.743 . . . . . . . . . 4 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 1.399 ' CA ' ' HB2' ' A' ' 6' ' ' SER 3.45 0.0 OUTLIER 163.67 36.16 0.0 OUTLIER 'Cis proline' 4 CA--C 4.56 151.794 3 N-CA-C 82.867 -11.244 . . . . 0.0 82.867 19.592 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 1.541 ' CB ' ' HB2' ' A' ' 9' ' ' LYS 7.181 0.1 OUTLIER -161.25 -75.87 0.06 Allowed 'General case' 3 CA--C 7.094 214.21 3 CA-C-O 157.098 17.618 . . . . 0.0 64.151 156.105 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.538 ' CG1' HG21 ' A' ' 7' ' ' VAL 2.499 0.9 OUTLIER 79.98 -19.21 0.0 OUTLIER 'Isoleucine or valine' 4 CA--C 5.572 155.639 5 C-N-CA 27.079 -37.848 . . . . 0.0 94.582 58.059 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 1.276 ' HD2' ' CB ' ' A' ' 10' ' ' TYR 2.882 0.0 OUTLIER -3.65 -73.96 0.0 OUTLIER 'General case' 3 CA--C 8.574 271.128 4 C-N-CA 31.945 -35.902 . . . . 0.0 90.139 -120.773 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 1.541 ' HB2' ' CB ' ' A' ' 6' ' ' SER 4.546 0.0 OUTLIER -25.92 -28.72 0.0 OUTLIER 'General case' 4 N--CA 6.579 255.975 3 C-N-CA 26.766 -37.973 . . . . 0.0 99.306 -50.038 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 1.448 ' N ' ' C ' ' A' ' 9' ' ' LYS 4.494 15.9 t80 . . . . . 4 N--CA 7.181 286.115 4 CA-C-O 26.335 -44.65 . . . . 0.0 104.874 5.118 . . . . . . . . 4 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.051 ' CB ' ' CE1' ' A' ' 10' ' ' TYR 5.959 . . . . . . . 3 CA--C 7.075 213.471 2 N-CA-C 72.356 -14.312 . . . . 0.0 72.356 . . . . . . . . . 4 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 1.265 ' CD ' ' CG ' ' A' ' 12' ' ' ARG 0.946 0.0 OUTLIER . . . . . 3 CA--C 9.024 288.438 2 CA-C-O 47.351 -34.642 . . . . 0.0 95.846 . . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 1.487 ' HB2' ' CD ' ' A' ' 14' ' ' LYS 2.813 1.0 OUTLIER . . . . . 3 CA--C 5.109 137.835 2 CA-C-O 73.286 -22.292 . . . . 0.0 162.963 . . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 1.487 ' CD ' ' HB2' ' A' ' 13' ' ' GLU 3.077 0.0 OUTLIER . . . . . 3 CA--C 9.569 309.376 2 N-CA-C 19.984 -33.71 . . . . 0.0 19.984 . . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 1.114 ' O ' ' CA ' ' A' ' 16' ' ' VAL . . . . . . . . 4 C--O 5.4 260.499 5 CA-C-O 8.068 -62.518 . . . . 0.0 76.22 -11.119 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.538 ' CB ' ' HD3' ' A' ' 32' ' ' LYS 3.662 1.1 t . . . . . 3 C--O 4.159 154.235 1 CA-C-O 50.994 -32.908 . . . . 0.0 105.52 . . . . . . . . . 4 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 1.235 ' CB ' ' CB ' ' A' ' 18' ' ' ILE 3.849 0.0 OUTLIER . . . . . 3 CA--C 4.667 120.862 2 N-CA-C 72.906 -14.109 . . . . 0.0 72.906 . . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 1.407 HG23 ' CZ ' ' A' ' 29' ' ' ARG 6.166 0.4 OUTLIER . . . . . 3 CA--C 11.428 380.899 1 N-CA-C 57.611 -19.774 . . . . 0.0 57.611 . . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 1.26 HH12 ' N ' ' A' ' 20' ' ' LEU 1.155 0.0 OUTLIER 35.74 -114.73 0.09 Allowed 'General case' 3 CA--C 10.503 345.298 5 C-N-CA 39.558 -32.857 . . . . 0.0 44.391 -117.078 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.335 ' N ' ' CD1' ' A' ' 20' ' ' LEU 2.719 0.2 OUTLIER -66.83 -173.35 0.23 Allowed 'General case' 4 CA--C 7.146 216.202 5 N-CA-C 3.504 -39.814 . . . . 0.0 3.504 -82.31 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.438 HG12 ' C ' ' A' ' 21' ' ' VAL 4.15 1.0 OUTLIER . . . . . 4 CA--C 5.216 141.945 5 CA-C-O 5.646 -54.502 . . . . 0.0 80.93 162.598 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 1.355 HE22 ' C ' ' A' ' 22' ' ' GLN 3.881 1.3 mm-40 . . . . . 3 CA--C 4.869 128.597 1 CA-C-O 50.27 -33.253 . . . . 0.0 100.207 . . . . . . . . . 4 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.985 ' O ' ' CA ' ' A' ' 24' ' ' THR . . . . . . . . 4 CA--C 8.649 445.953 4 C-N-CA 63.387 -28.054 . . . . 0.0 55.405 117.214 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 1.405 ' CA ' ' OD2' ' A' ' 34' ' ' ASP 4.474 4.9 t . . . . . 3 C--O 3.885 139.786 2 CA-C-O 28.595 -43.574 . . . . 0.0 98.57 . . . . . . . . . 4 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 1.498 ' CA ' ' CB ' ' A' ' 34' ' ' ASP . . . . . . . . 3 N--CA 3.116 110.691 2 N-CA-C 85.846 -10.902 . . . . 0.0 85.846 . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 1.25 ' CA ' ' CG ' ' A' ' 26' ' ' LYS 3.601 0.0 OUTLIER -2.89 -43.19 0.0 OUTLIER 'General case' 4 CA--C 7.358 224.337 5 C-N-CA 29.469 -36.893 . . . . 0.0 78.367 -102.656 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 1.222 ' CB ' ' CA ' ' A' ' 27' ' ' ASN 2.215 0.4 OUTLIER . . . . . 4 CA--C 5.082 136.81 4 N-CA-C 14.567 -35.716 . . . . 0.0 14.567 -102.358 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 1.261 ' C ' ' HB2' ' A' ' 37' ' ' ALA . . . . . . . . 3 CA--C 3.067 97.056 2 CA-C-O 59.633 -33.87 . . . . 0.0 47.503 . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 1.534 ' NE ' ' CB ' ' A' ' 34' ' ' ASP 1.899 0.0 OUTLIER . . . . . 3 CA--C 10.119 330.556 2 N-CA-C 55.686 -20.487 . . . . 0.0 55.686 . . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 1.349 ' C ' ' CB ' ' A' ' 38' ' ' PHE 3.553 50.4 t . . . . . 3 CA--C 4.35 108.644 2 CA-C-O 52.828 -32.034 . . . . 0.0 35.993 . . . . . . . . . 4 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 1.522 ' HA ' ' CG ' ' A' ' 31' ' ' LEU 0.584 0.0 OUTLIER . . . . . 3 CA--C 4.821 126.757 4 CA-C-N 164.113 21.324 . . . . 0.0 78.549 73.984 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 1.538 ' HD3' ' CB ' ' A' ' 16' ' ' VAL 4.094 0.0 OUTLIER . . . . . 3 CA--C 4.28 105.972 2 CA-C-O 57.771 -29.68 . . . . 0.0 40.421 . . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 1.338 ' CA ' ' CE2' ' A' ' 38' ' ' PHE 4.386 5.9 tp10 . . . . . 3 CA--C 4.828 127.029 2 CA-C-O 74.57 -21.681 . . . . 0.0 96.934 . . . . . . . . . 4 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 1.534 ' CB ' ' NE ' ' A' ' 29' ' ' ARG 14.63 0.1 OUTLIER 171.16 13.89 0.0 OUTLIER 'General case' 3 CA--C 11.672 390.285 5 O-C-N 60.013 -39.179 . . . . 0.0 71.914 23.031 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 1.5 ' CA ' ' NH1' ' A' ' 29' ' ' ARG . 6.1 mt -70.69 -31.36 45.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 1 CA-C-N 83.171 -15.468 . . . . 0.0 110.729 -10.265 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 1.076 ' CG ' ' CA ' ' A' ' 27' ' ' ASN . 15.9 t70 -52.01 -41.07 61.93 Favored 'General case' 0 C--N 1.31 -1.147 0 C-N-CA 118.954 -1.099 . . . . 0.0 110.085 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.261 ' HB2' ' C ' ' A' ' 28' ' ' GLY . . . -73.24 -33.36 65.26 Favored 'General case' 0 C--N 1.305 -1.338 0 C-N-CA 119.675 -0.81 . . . . 0.0 110.67 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 1.5 ' CD1' ' CG ' ' A' ' 32' ' ' LYS . 68.3 t80 -44.73 -71.24 0.08 Allowed 'General case' 0 C--N 1.309 -1.174 0 C-N-CA 119.378 -0.929 . . . . 0.0 111.803 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.395 ' N ' ' N ' ' A' ' 31' ' ' LEU . 31.9 tp -66.82 -58.15 5.62 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.486 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.765 ' O ' ' CG ' ' A' ' 31' ' ' LEU . . . -46.36 101.0 0.02 OUTLIER 'General case' 0 C--N 1.308 -1.204 0 C-N-CA 119.303 -0.959 . . . . 0.0 111.113 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.86 19.84 8.97 Favored Glycine 0 N--CA 1.494 2.502 0 C-N-CA 119.541 -1.314 . . . . 0.0 110.523 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.46 164.96 45.93 Favored Glycine 0 N--CA 1.494 2.551 0 C-N-CA 119.596 -1.287 . . . . 0.0 110.316 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.454 0 C-N-CA 119.454 -0.898 . . . . 0.0 110.825 -179.925 . . . . . . . . 0 0 . 1 stop_ save_