data_5a7u_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 5a7u _Structure_validation_residue.Date_analyzed 2016-10-12 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 ecloud orig full ' A' A ' 1' ' ' LYS . . . . . 0.555 ' CB ' ' HD3' ' A' ' 2' ' ' PRO 0.606 0.0 OUTLIER . . . . . 0 CA--C 1.597 2.76 0 CA-C-O 115.275 -2.297 . . . . 0.0 109.874 . . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' PRO . . . . . 0.66 ' HG2' ' CE1' ' A' ' 3' ' ' TYR . 12.2 Cg_endo -167.8 -1.47 0.0 OUTLIER 'Trans proline' 0 CA--C 1.592 3.399 1 N-CA-C 122.537 4.014 . . . . 0.0 122.537 -124.612 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' TYR . . . . . 0.66 ' CE1' ' HG2' ' A' ' 2' ' ' PRO . 22.7 m-85 -112.53 51.38 0.41 Allowed Pre-proline 0 N--CA 1.504 2.245 0 N-CA-C 121.285 3.809 . . . . 0.0 121.285 -141.317 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -68.84 128.03 16.25 Favored 'Trans proline' 0 CA--C 1.551 1.366 0 CA-C-N 124.428 2.617 . . . . 0.0 113.038 -175.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 39.0 t -93.19 127.62 38.82 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 120.435 -1.416 . . . . 0.0 111.515 173.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.55 16.12 61.85 Favored Glycine 0 N--CA 1.482 1.721 0 N-CA-C 117.115 1.606 . . . . 0.0 117.115 -173.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . 0.443 HD12 ' HB3' ' A' ' 26' ' ' HIS . 13.8 mt -117.62 -11.11 10.47 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.446 1.098 . . . . 0.0 111.207 -169.215 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' CYS . . . . . 0.626 ' SG ' 'ZN ' ' A' ' 162' ' ' ' ZN' . 29.5 p -154.67 17.08 0.45 Allowed 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 125.966 1.706 . . . . 0.0 114.649 -169.318 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 54.3 t30 59.62 75.35 0.41 Allowed 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 129.534 3.134 . . . . 0.0 117.292 172.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 51.5 mtt180 -150.38 162.6 40.23 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 118.828 2.899 . . . . 0.0 118.828 -159.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . . . -137.14 164.31 28.76 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 129.721 3.208 . . . . 0.0 111.095 167.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -150.14 169.44 21.27 Favored 'General case' 0 N--CA 1.49 1.53 1 N-CA-C 122.524 4.268 . . . . 0.0 122.524 -151.305 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.526 0.6 OUTLIER -104.2 -101.37 0.31 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 128.141 2.576 . . . . 0.0 116.752 168.799 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.4 mtt180 -75.81 159.18 31.29 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-N 123.466 2.848 . . . . 0.0 114.788 -175.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ARG . . . . . 0.5 ' HG3' ' CE1' ' A' ' 3' ' ' TYR . 16.0 ttt-85 -73.11 -54.18 9.17 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.326 1.051 . . . . 0.0 111.28 -177.84 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -49.17 -36.38 19.4 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 128.14 2.576 . . . . 0.0 113.66 178.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.7 mt -64.73 -41.77 95.71 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.519 1.528 . . . . 0.0 114.783 168.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -40.96 83.19 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.828 1.649 . . . . 0.0 110.887 174.629 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.6 mt -62.67 -49.22 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.269 0.628 . . . . 0.0 110.113 177.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -64.8 -22.72 67.05 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 117.298 -1.334 . . . . 0.0 112.889 171.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -76.56 -50.58 13.56 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 121.551 1.978 . . . . 0.0 112.699 172.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.33 -44.06 63.21 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 116.897 -1.525 . . . . 0.0 112.289 179.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -72.59 1.76 7.66 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.768 1.627 . . . . 0.0 113.63 171.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.387 34.3 mttp -119.25 1.36 11.3 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 118.748 2.87 . . . . 0.0 118.748 161.031 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.8 mp -139.08 -43.04 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-N 120.316 1.416 . . . . 0.0 113.007 -176.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HIS . . . . . 0.443 ' HB3' HD12 ' A' ' 7' ' ' LEU . 94.6 m-70 -98.14 -63.82 1.09 Allowed 'General case' 0 C--O 1.222 -0.378 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -166.089 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.214 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 157.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' ' ZN' . . . . . 0.626 'ZN ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' LYS . . . . . 0.69 ' HB2' ' HD3' ' A' ' 2' ' ' PRO 0.606 0.0 OUTLIER . . . . . 0 CA--C 1.597 2.76 0 CA-C-O 115.275 -2.297 . . . . 0.0 109.874 . . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 2' ' ' PRO . . . . . 0.761 ' HG2' ' CZ ' ' A' ' 3' ' ' TYR . 12.2 Cg_endo -167.8 -1.47 0.0 OUTLIER 'Trans proline' 0 CA--C 1.592 3.399 1 N-CA-C 122.537 4.014 . . . . 0.0 122.537 -124.612 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 3' ' ' TYR . . . . . 0.761 ' CZ ' ' HG2' ' A' ' 2' ' ' PRO . 22.7 m-85 -112.53 51.38 0.41 Allowed Pre-proline 0 N--CA 1.504 2.245 0 N-CA-C 121.285 3.809 . . . . 0.0 121.285 -141.317 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -68.84 128.03 16.25 Favored 'Trans proline' 0 CA--C 1.551 1.366 0 CA-C-N 124.428 2.617 . . . . 0.0 113.038 -175.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 39.0 t -93.19 127.62 38.82 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 120.435 -1.416 . . . . 0.0 111.515 173.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.55 16.12 61.85 Favored Glycine 0 N--CA 1.482 1.721 0 N-CA-C 117.115 1.606 . . . . 0.0 117.115 -173.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . 0.483 HD13 ' HB3' ' A' ' 26' ' ' HIS . 13.8 mt -117.62 -11.11 10.47 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.446 1.098 . . . . 0.0 111.207 -169.215 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' CYS . . . . . 0.908 ' HG ' 'ZN ' ' A' ' 162' ' ' ' ZN' . 29.5 p -154.67 17.08 0.45 Allowed 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 125.966 1.706 . . . . 0.0 114.649 -169.318 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 54.3 t30 59.62 75.35 0.41 Allowed 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 129.534 3.134 . . . . 0.0 117.292 172.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 51.5 mtt180 -150.38 162.6 40.23 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 118.828 2.899 . . . . 0.0 118.828 -159.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . . . -137.14 164.31 28.76 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 129.721 3.208 . . . . 0.0 111.095 167.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -150.14 169.44 21.27 Favored 'General case' 0 N--CA 1.49 1.53 1 N-CA-C 122.524 4.268 . . . . 0.0 122.524 -151.305 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.526 0.6 OUTLIER -104.2 -101.37 0.31 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 128.141 2.576 . . . . 0.0 116.752 168.799 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.4 mtt180 -75.81 159.18 31.29 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-N 123.466 2.848 . . . . 0.0 114.788 -175.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ARG . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 3' ' ' TYR . 16.0 ttt-85 -73.11 -54.18 9.17 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.326 1.051 . . . . 0.0 111.28 -177.84 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -49.17 -36.38 19.4 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 128.14 2.576 . . . . 0.0 113.66 178.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.7 mt -64.73 -41.77 95.71 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.519 1.528 . . . . 0.0 114.783 168.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -40.96 83.19 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.828 1.649 . . . . 0.0 110.887 174.629 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.6 mt -62.67 -49.22 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.269 0.628 . . . . 0.0 110.113 177.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -64.8 -22.72 67.05 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 117.298 -1.334 . . . . 0.0 112.889 171.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -76.56 -50.58 13.56 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 121.551 1.978 . . . . 0.0 112.699 172.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.33 -44.06 63.21 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 116.897 -1.525 . . . . 0.0 112.289 179.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -72.59 1.76 7.66 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.768 1.627 . . . . 0.0 113.63 171.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.387 34.3 mttp -119.25 1.36 11.3 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 118.748 2.87 . . . . 0.0 118.748 161.031 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.8 mp -139.08 -43.04 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-N 120.316 1.416 . . . . 0.0 113.007 -176.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HIS . . . . . 0.483 ' HB3' HD13 ' A' ' 7' ' ' LEU . 94.6 m-70 -98.14 -63.82 1.09 Allowed 'General case' 0 C--O 1.222 -0.378 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -166.089 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.214 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 157.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 162' ' ' ' ZN' . . . . . 0.908 'ZN ' ' HG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.69 ' HB2' ' HD3' ' A' ' 2' ' ' PRO 0.606 0.0 OUTLIER . . . . . 0 CA--C 1.597 2.76 0 CA-C-O 115.275 -2.297 . . . . 0.0 109.874 . . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.761 ' HG2' ' CZ ' ' A' ' 3' ' ' TYR . 12.2 Cg_endo -167.8 -1.47 0.0 OUTLIER 'Trans proline' 0 CA--C 1.592 3.399 1 N-CA-C 122.537 4.014 . . . . 0.0 122.537 -124.612 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.761 ' CZ ' ' HG2' ' A' ' 2' ' ' PRO . 22.7 m-85 -112.53 51.38 0.41 Allowed Pre-proline 0 N--CA 1.504 2.245 0 N-CA-C 121.285 3.809 . . . . 0.0 121.285 -141.317 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -68.84 128.03 16.25 Favored 'Trans proline' 0 CA--C 1.551 1.366 0 CA-C-N 124.428 2.617 . . . . 0.0 113.038 -175.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 39.0 t -93.19 127.62 38.82 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 120.435 -1.416 . . . . 0.0 111.515 173.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.55 16.12 61.85 Favored Glycine 0 N--CA 1.482 1.721 0 N-CA-C 117.115 1.606 . . . . 0.0 117.115 -173.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.483 HD13 ' HB3' ' A' ' 26' ' ' HIS . 13.8 mt -117.62 -11.11 10.47 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.446 1.098 . . . . 0.0 111.207 -169.215 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.908 ' HG ' 'ZN ' ' A' ' 162' ' ' ' ZN' . 29.5 p -154.67 17.08 0.45 Allowed 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 125.966 1.706 . . . . 0.0 114.649 -169.318 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 54.3 t30 59.62 75.35 0.41 Allowed 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 129.534 3.134 . . . . 0.0 117.292 172.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 51.5 mtt180 -150.38 162.6 40.23 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 118.828 2.899 . . . . 0.0 118.828 -159.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . . . -137.14 164.31 28.76 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 129.721 3.208 . . . . 0.0 111.095 167.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -150.14 169.44 21.27 Favored 'General case' 0 N--CA 1.49 1.53 1 N-CA-C 122.524 4.268 . . . . 0.0 122.524 -151.305 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.526 0.6 OUTLIER -104.2 -101.37 0.31 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 128.141 2.576 . . . . 0.0 116.752 168.799 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.4 mtt180 -75.81 159.18 31.29 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-N 123.466 2.848 . . . . 0.0 114.788 -175.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 3' ' ' TYR . 16.0 ttt-85 -73.11 -54.18 9.17 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.326 1.051 . . . . 0.0 111.28 -177.84 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -49.17 -36.38 19.4 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 128.14 2.576 . . . . 0.0 113.66 178.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.7 mt -64.73 -41.77 95.71 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.519 1.528 . . . . 0.0 114.783 168.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -40.96 83.19 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.828 1.649 . . . . 0.0 110.887 174.629 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.6 mt -62.67 -49.22 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.269 0.628 . . . . 0.0 110.113 177.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -64.8 -22.72 67.05 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 117.298 -1.334 . . . . 0.0 112.889 171.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -76.56 -50.58 13.56 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 121.551 1.978 . . . . 0.0 112.699 172.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.33 -44.06 63.21 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 116.897 -1.525 . . . . 0.0 112.289 179.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -72.59 1.76 7.66 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.768 1.627 . . . . 0.0 113.63 171.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.387 34.3 mttp -119.25 1.36 11.3 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 118.748 2.87 . . . . 0.0 118.748 161.031 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.8 mp -139.08 -43.04 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-N 120.316 1.416 . . . . 0.0 113.007 -176.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.483 ' HB3' HD13 ' A' ' 7' ' ' LEU . 94.6 m-70 -98.14 -63.82 1.09 Allowed 'General case' 0 C--O 1.222 -0.378 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -166.089 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.214 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 157.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' ' ZN' . . . . . 0.908 'ZN ' ' HG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_