data_2ab3_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 2ab3 _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' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 118.683 -0.675 . . . . 10.0 109.321 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 94.4 t -82.82 140.99 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 125.095 1.358 . . . . 10.0 109.294 174.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -135.62 157.78 46.03 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.836 0.744 . . . . 10.0 111.639 171.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.3 p -120.44 109.65 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 124.186 0.995 . . . . 10.0 111.089 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.1 t -77.08 58.4 1.53 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.564 1.546 . . . . 10.0 110.669 174.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.94 15.02 0.07 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.972 1.709 . . . . 10.0 113.699 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -66.9 155.75 37.59 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 125.767 1.627 . . . . 10.0 111.639 -175.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -68.94 32.81 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 128.477 2.711 . . . . 10.0 115.001 -175.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -158.91 11.1 0.14 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 127.695 2.398 . . . . 10.0 113.051 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.9 t -148.18 -62.86 0.26 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.794 1.179 . . . . 10.0 112.524 -171.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 59.35 29.23 65.8 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 123.685 0.659 . . . . 10.0 113.924 -172.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -101.3 166.87 10.53 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.37 1.085 . . . . 10.0 112.418 -175.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.8 p -132.02 141.92 49.41 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 125.734 1.614 . . . . 10.0 109.385 176.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -137.57 116.55 12.42 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.94 0.876 . . . . 10.0 110.569 -176.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -72.6 25.52 0.05 Allowed 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.855 1.428 . . . . 10.0 114.855 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -157.3 142.14 16.8 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.88 1.272 . . . . 10.0 110.431 176.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -60.01 -42.64 94.74 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 124.704 1.202 . . . . 10.0 110.743 171.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -38.68 88.4 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.223 0.92 . . . . 10.0 110.809 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -71.54 -31.62 67.22 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 118.063 -0.97 . . . . 10.0 112.647 178.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.31 -45.18 27.05 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 119.533 1.06 . . . . 10.0 111.471 172.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -58.71 -44.89 90.51 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.147 0.979 . . . . 10.0 111.534 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -27.73 66.55 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.327 0.491 . . . . 10.0 112.327 177.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -85.5 -38.82 18.14 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.913 0.485 . . . . 10.0 111.988 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -29.42 49.1 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.204 1.402 . . . . 10.0 112.428 178.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -51.37 -42.86 61.65 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.134 0.973 . . . . 10.0 111.818 171.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -1.18 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 127.39 2.276 . . . . 10.0 113.742 178.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -120.02 9.7 11.28 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.491 1.916 . . . . 10.0 112.924 171.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.1 m -118.13 -29.46 5.57 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.038 1.735 . . . . 10.0 110.834 168.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.162 0 C-N-CA 126.565 2.031 . . . . 10.0 111.126 169.611 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 118.683 -0.675 . . . . 10.0 109.321 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 94.4 t -82.82 140.99 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 125.095 1.358 . . . . 10.0 109.294 174.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -135.62 157.78 46.03 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.836 0.744 . . . . 10.0 111.639 171.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.3 p -120.44 109.65 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 124.186 0.995 . . . . 10.0 111.089 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.1 t -77.08 58.4 1.53 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.564 1.546 . . . . 10.0 110.669 174.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.94 15.02 0.07 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.972 1.709 . . . . 10.0 113.699 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -66.9 155.75 37.59 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 125.767 1.627 . . . . 10.0 111.639 -175.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -68.94 32.81 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 128.477 2.711 . . . . 10.0 115.001 -175.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -158.91 11.1 0.14 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 127.695 2.398 . . . . 10.0 113.051 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.9 t -148.18 -62.86 0.26 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.794 1.179 . . . . 10.0 112.524 -171.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 59.35 29.23 65.8 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 123.685 0.659 . . . . 10.0 113.924 -172.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -101.3 166.87 10.53 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.37 1.085 . . . . 10.0 112.418 -175.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.8 p -132.02 141.92 49.41 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 125.734 1.614 . . . . 10.0 109.385 176.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -137.57 116.55 12.42 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.94 0.876 . . . . 10.0 110.569 -176.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -72.6 25.52 0.05 Allowed 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.855 1.428 . . . . 10.0 114.855 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -157.3 142.14 16.8 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.88 1.272 . . . . 10.0 110.431 176.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -60.01 -42.64 94.74 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 124.704 1.202 . . . . 10.0 110.743 171.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -38.68 88.4 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.223 0.92 . . . . 10.0 110.809 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -71.54 -31.62 67.22 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 118.063 -0.97 . . . . 10.0 112.647 178.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.31 -45.18 27.05 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 119.533 1.06 . . . . 10.0 111.471 172.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -58.71 -44.89 90.51 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.147 0.979 . . . . 10.0 111.534 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -27.73 66.55 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.327 0.491 . . . . 10.0 112.327 177.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -85.5 -38.82 18.14 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.913 0.485 . . . . 10.0 111.988 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -29.42 49.1 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.204 1.402 . . . . 10.0 112.428 178.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -51.37 -42.86 61.65 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.134 0.973 . . . . 10.0 111.818 171.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -1.18 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 127.39 2.276 . . . . 10.0 113.742 178.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -120.02 9.7 11.28 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.491 1.916 . . . . 10.0 112.924 171.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.1 m -118.13 -29.46 5.57 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.038 1.735 . . . . 10.0 110.834 168.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.162 0 C-N-CA 126.565 2.031 . . . . 10.0 111.126 169.611 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 118.683 -0.675 . . . . 10.0 109.321 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 94.4 t -82.82 140.99 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 125.095 1.358 . . . . 10.0 109.294 174.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -135.62 157.78 46.03 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.836 0.744 . . . . 10.0 111.639 171.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.3 p -120.44 109.65 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 124.186 0.995 . . . . 10.0 111.089 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.1 t -77.08 58.4 1.53 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.564 1.546 . . . . 10.0 110.669 174.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.94 15.02 0.07 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.972 1.709 . . . . 10.0 113.699 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -66.9 155.75 37.59 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 125.767 1.627 . . . . 10.0 111.639 -175.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -68.94 32.81 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 128.477 2.711 . . . . 10.0 115.001 -175.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -158.91 11.1 0.14 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 127.695 2.398 . . . . 10.0 113.051 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.9 t -148.18 -62.86 0.26 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.794 1.179 . . . . 10.0 112.524 -171.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 59.35 29.23 65.8 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 123.685 0.659 . . . . 10.0 113.924 -172.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -101.3 166.87 10.53 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.37 1.085 . . . . 10.0 112.418 -175.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.8 p -132.02 141.92 49.41 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 125.734 1.614 . . . . 10.0 109.385 176.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -137.57 116.55 12.42 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.94 0.876 . . . . 10.0 110.569 -176.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -72.6 25.52 0.05 Allowed 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.855 1.428 . . . . 10.0 114.855 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -157.3 142.14 16.8 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.88 1.272 . . . . 10.0 110.431 176.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -60.01 -42.64 94.74 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 124.704 1.202 . . . . 10.0 110.743 171.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -38.68 88.4 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.223 0.92 . . . . 10.0 110.809 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -71.54 -31.62 67.22 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 118.063 -0.97 . . . . 10.0 112.647 178.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.31 -45.18 27.05 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 119.533 1.06 . . . . 10.0 111.471 172.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -58.71 -44.89 90.51 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.147 0.979 . . . . 10.0 111.534 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -27.73 66.55 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.327 0.491 . . . . 10.0 112.327 177.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -85.5 -38.82 18.14 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.913 0.485 . . . . 10.0 111.988 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -29.42 49.1 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.204 1.402 . . . . 10.0 112.428 178.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -51.37 -42.86 61.65 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.134 0.973 . . . . 10.0 111.818 171.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -1.18 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 127.39 2.276 . . . . 10.0 113.742 178.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -120.02 9.7 11.28 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.491 1.916 . . . . 10.0 112.924 171.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.1 m -118.13 -29.46 5.57 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.038 1.735 . . . . 10.0 110.834 168.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.162 0 C-N-CA 126.565 2.031 . . . . 10.0 111.126 169.611 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_