data_1fac_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 1fac _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 CA--C 1.511 -0.553 0 CA-C-O 121.565 0.698 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.8 ttm-85 -134.73 48.05 2.33 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.499 0.666 . . . . 0.0 111.678 171.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -89.59 8.35 31.78 Favored 'General case' 0 C--O 1.243 0.76 0 O-C-N 121.64 -0.662 . . . . 0.0 112.214 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.58 38.08 2.16 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.193 -0.942 . . . . 0.0 110.75 177.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.3 -62.21 0.13 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.014 0.911 . . . . 0.0 111.494 -170.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.448 ' CD1' ' CD1' ' A' ' 11' ' ' TRP . 2.7 tp -41.97 125.12 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.63 0.729 . . . . 0.0 112.372 172.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -75.13 114.37 34.53 Favored Pre-proline 0 C--O 1.244 0.814 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 167.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -75.8 -32.64 4.37 Favored 'Trans proline' 0 N--CA 1.535 3.959 1 C-N-CA 125.67 4.246 . . . . 0.0 118.483 -171.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.7 tm0? -60.46 -58.86 6.69 Favored 'General case' 0 C--O 1.257 1.481 0 O-C-N 121.084 -1.01 . . . . 0.0 112.518 -167.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.6 p -82.68 -21.29 34.97 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 119.915 -1.741 . . . . 0.0 111.777 -171.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.448 ' CD1' ' CD1' ' A' ' 6' ' ' ILE . 25.9 t90 -71.29 -28.06 63.87 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 124.104 0.962 . . . . 0.0 112.052 -171.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.51 -22.92 22.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 O-C-N 121.389 -0.819 . . . . 0.0 112.292 -170.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.66 19.43 9.95 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.301 0.572 . . . . 0.0 112.474 -173.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.57 -30.33 5.53 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.928 0.871 . . . . 0.0 110.46 169.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.465 ' CD1' ' N ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -72.25 -51.45 29.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.814 0.816 . . . . 0.0 110.935 171.838 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.79 -32.41 65.63 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.688 0.756 . . . . 0.0 111.863 -171.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.5 mt -79.21 -34.77 42.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.789 0.804 . . . . 0.0 110.821 -173.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -80.98 -22.28 39.61 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.28 29.86 5.7 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.338 -0.851 . . . . 0.0 111.618 -170.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 60.17 35.63 21.08 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.448 -0.782 . . . . 0.0 110.97 171.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.272 2.282 0 CA-C-O 121.651 0.738 . . . . 0.0 111.397 -177.122 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 CA--C 1.511 -0.553 0 CA-C-O 121.565 0.698 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 2' ' ' ARG . 23.8 ttm-85 -134.73 48.05 2.33 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.499 0.666 . . . . 0.0 111.678 171.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -89.59 8.35 31.78 Favored 'General case' 0 C--O 1.243 0.76 0 O-C-N 121.64 -0.662 . . . . 0.0 112.214 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.632 ' O ' ' HG2' ' A' ' 5' ' ' ARG . 0.4 OUTLIER -106.58 38.08 2.16 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.193 -0.942 . . . . 0.0 110.75 177.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -154.3 -62.21 0.13 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.014 0.911 . . . . 0.0 111.494 -170.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.786 HD11 ' CG ' ' A' ' 11' ' ' TRP . 2.7 tp -41.97 125.12 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.63 0.729 . . . . 0.0 112.372 172.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -75.13 114.37 34.53 Favored Pre-proline 0 C--O 1.244 0.814 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 167.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -75.8 -32.64 4.37 Favored 'Trans proline' 0 N--CA 1.535 3.959 1 C-N-CA 125.67 4.246 . . . . 0.0 118.483 -171.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.7 tm0? -60.46 -58.86 6.69 Favored 'General case' 0 C--O 1.257 1.481 0 O-C-N 121.084 -1.01 . . . . 0.0 112.518 -167.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.6 p -82.68 -21.29 34.97 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 119.915 -1.741 . . . . 0.0 111.777 -171.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.786 ' CG ' HD11 ' A' ' 6' ' ' ILE . 25.9 t90 -71.29 -28.06 63.87 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 124.104 0.962 . . . . 0.0 112.052 -171.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.51 -22.92 22.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 O-C-N 121.389 -0.819 . . . . 0.0 112.292 -170.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.66 19.43 9.95 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.301 0.572 . . . . 0.0 112.474 -173.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.68 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -117.57 -30.33 5.53 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.928 0.871 . . . . 0.0 110.46 169.555 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.465 ' CD1' ' N ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -72.25 -51.45 29.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.814 0.816 . . . . 0.0 110.935 171.838 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.79 -32.41 65.63 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.688 0.756 . . . . 0.0 111.863 -171.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.5 mt -79.21 -34.77 42.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.789 0.804 . . . . 0.0 110.821 -173.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.475 ' HG2' ' SD ' ' A' ' 19' ' ' MET . 24.8 ttm180 -80.98 -22.28 39.61 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.475 ' SD ' ' HG2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -104.28 29.86 5.7 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.338 -0.851 . . . . 0.0 111.618 -170.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 60.17 35.63 21.08 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.448 -0.782 . . . . 0.0 110.97 171.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.272 2.282 0 CA-C-O 121.651 0.738 . . . . 0.0 111.397 -177.122 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 CA--C 1.511 -0.553 0 CA-C-O 121.565 0.698 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 2' ' ' ARG . 23.8 ttm-85 -134.73 48.05 2.33 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.499 0.666 . . . . 0.0 111.678 171.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -89.59 8.35 31.78 Favored 'General case' 0 C--O 1.243 0.76 0 O-C-N 121.64 -0.662 . . . . 0.0 112.214 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.632 ' O ' ' HG2' ' A' ' 5' ' ' ARG . 0.4 OUTLIER -106.58 38.08 2.16 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.193 -0.942 . . . . 0.0 110.75 177.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -154.3 -62.21 0.13 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.014 0.911 . . . . 0.0 111.494 -170.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.786 HD11 ' CG ' ' A' ' 11' ' ' TRP . 2.7 tp -41.97 125.12 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.63 0.729 . . . . 0.0 112.372 172.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -75.13 114.37 34.53 Favored Pre-proline 0 C--O 1.244 0.814 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 167.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -75.8 -32.64 4.37 Favored 'Trans proline' 0 N--CA 1.535 3.959 1 C-N-CA 125.67 4.246 . . . . 0.0 118.483 -171.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.7 tm0? -60.46 -58.86 6.69 Favored 'General case' 0 C--O 1.257 1.481 0 O-C-N 121.084 -1.01 . . . . 0.0 112.518 -167.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.6 p -82.68 -21.29 34.97 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 119.915 -1.741 . . . . 0.0 111.777 -171.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.786 ' CG ' HD11 ' A' ' 6' ' ' ILE . 25.9 t90 -71.29 -28.06 63.87 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 124.104 0.962 . . . . 0.0 112.052 -171.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.51 -22.92 22.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 O-C-N 121.389 -0.819 . . . . 0.0 112.292 -170.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.66 19.43 9.95 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.301 0.572 . . . . 0.0 112.474 -173.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.68 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -117.57 -30.33 5.53 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.928 0.871 . . . . 0.0 110.46 169.555 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.465 ' N ' ' CD1' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -72.25 -51.45 29.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.814 0.816 . . . . 0.0 110.935 171.838 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.79 -32.41 65.63 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.688 0.756 . . . . 0.0 111.863 -171.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.5 mt -79.21 -34.77 42.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.789 0.804 . . . . 0.0 110.821 -173.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.475 ' HG2' ' SD ' ' A' ' 19' ' ' MET . 24.8 ttm180 -80.98 -22.28 39.61 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.475 ' SD ' ' HG2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -104.28 29.86 5.7 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.338 -0.851 . . . . 0.0 111.618 -170.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 60.17 35.63 21.08 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.448 -0.782 . . . . 0.0 110.97 171.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.272 2.282 0 CA-C-O 121.651 0.738 . . . . 0.0 111.397 -177.122 . . . . . . . . 0 0 . 1 stop_ save_