data_3sgn_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 3sgn _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 . . . . . . . . . . . . . 77.8 tttt . . . . . 0 CA--C 1.527 0.093 0 CA-C-O 120.795 0.331 . . . . 88.590000000000003 110.751 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.6 t -109.54 122.7 64.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 121.133 0.492 . . . . 77.180000000000007 110.43 176.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -115.54 175.81 5.36 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.767 -0.827 . . . . 78.879999999999995 108.767 175.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 55.4 t -116.92 129.44 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.803 0 C-N-CA 119.436 -0.906 . . . . 71.530000000000001 108.568 171.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.7 tp -119.1 125.55 49.55 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 108.531 -0.914 . . . . 72.700000000000003 108.531 174.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -147.23 171.35 27.92 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 118.539 -1.791 . . . . 71.799999999999997 112.504 -172.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -119.76 158.48 26.44 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.998 -0.281 . . . . 80.799999999999997 110.612 178.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' A8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.8 pt -127.87 148.59 32.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 113.132 0.79 . . . . 79.629999999999995 113.132 174.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -88.22 123.44 32.84 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.655 -1.239 . . . . 101.48999999999999 107.655 178.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.551 0.982 0 N-CA-C 115.406 1.632 . . . . 84.299999999999997 115.406 -172.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 46.8 tttm . . . . . 0 CA--C 1.528 0.113 0 N-CA-C 109.931 -0.396 . . . . 86.239999999999995 109.931 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 55.1 t -106.75 120.11 57.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 121.037 0.446 . . . . 79.159999999999997 111.159 176.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -110.62 173.41 6.35 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.77 -0.826 . . . . 81.030000000000001 108.77 175.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 44.6 t -111.63 124.84 68.76 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 N-CA-C 107.536 -1.283 . . . . 72.599999999999994 107.536 167.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 60.9 tp -113.15 131.91 55.67 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 107.669 -1.234 . . . . 72.129999999999995 107.669 170.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -151.92 172.72 31.25 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 119.932 -1.127 . . . . 73.590000000000003 115.277 -173.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -123.14 156.96 33.99 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 120.71 0.29 . . . . 81.829999999999998 111.471 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' A8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 7.5 pt -127.61 148.52 32.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.094 -0.642 . . . . 79.170000000000002 112.144 172.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.64 131.56 34.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.895 -1.52 . . . . 111.64 106.895 175.244 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.551 1.0 0 CA-C-O 122.978 1.371 . . . . 85.170000000000002 113.574 -174.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 77.8 tttt . . . . . 0 CA--C 1.527 0.093 0 CA-C-O 120.795 0.331 . . . . 88.59 110.751 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.6 t -109.54 122.7 64.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 121.133 0.492 . . . . 77.18 110.43 176.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -115.54 175.81 5.36 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.767 -0.827 . . . . 78.88 108.767 175.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 55.4 t -116.92 129.44 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.803 0 C-N-CA 119.436 -0.906 . . . . 71.53 108.568 171.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.7 tp -119.1 125.55 49.55 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 108.531 -0.914 . . . . 72.7 108.531 174.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -147.23 171.35 27.92 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 118.539 -1.791 . . . . 71.8 112.504 -172.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -119.76 158.48 26.44 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.998 -0.281 . . . . 80.8 110.612 178.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' A8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.8 pt -127.87 148.59 32.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 113.132 0.79 . . . . 79.63 113.132 174.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -88.22 123.44 32.84 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.655 -1.239 . . . . 101.49 107.655 178.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.551 0.982 0 N-CA-C 115.406 1.632 . . . . 84.3 115.406 -172.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 46.8 tttm . . . . . 0 CA--C 1.528 0.113 0 N-CA-C 109.931 -0.396 . . . . 86.24 109.931 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 55.1 t -106.75 120.11 57.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 121.037 0.446 . . . . 79.16 111.159 176.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -110.62 173.41 6.35 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.77 -0.826 . . . . 81.03 108.77 175.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 44.6 t -111.63 124.84 68.76 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 N-CA-C 107.536 -1.283 . . . . 72.6 107.536 167.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 60.9 tp -113.15 131.91 55.67 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 107.669 -1.234 . . . . 72.13 107.669 170.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -151.92 172.72 31.25 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 119.932 -1.127 . . . . 73.59 115.277 -173.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -123.14 156.96 33.99 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 120.71 0.29 . . . . 81.83 111.471 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' A8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 7.5 pt -127.61 148.52 32.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.094 -0.642 . . . . 79.17 112.144 172.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.64 131.56 34.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.895 -1.52 . . . . 111.64 106.895 175.244 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.551 1.0 0 CA-C-O 122.978 1.371 . . . . 85.17 113.574 -174.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 77.8 tttt . . . . . 0 CA--C 1.527 0.093 0 CA-C-O 120.795 0.331 . . . . 88.590000000000003 110.751 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.6 t -109.54 122.7 64.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 121.133 0.492 . . . . 77.180000000000007 110.43 176.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -115.54 175.81 5.36 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.767 -0.827 . . . . 78.879999999999995 108.767 175.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 55.4 t -116.92 129.44 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.803 0 C-N-CA 119.436 -0.906 . . . . 71.530000000000001 108.568 171.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.7 tp -119.1 125.55 49.55 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 108.531 -0.914 . . . . 72.700000000000003 108.531 174.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -147.23 171.35 27.92 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 118.539 -1.791 . . . . 71.799999999999997 112.504 -172.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -119.76 158.48 26.44 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.998 -0.281 . . . . 80.799999999999997 110.612 178.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' A8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.8 pt -127.87 148.59 32.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 113.132 0.79 . . . . 79.629999999999995 113.132 174.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -88.22 123.44 32.84 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.655 -1.239 . . . . 101.48999999999999 107.655 178.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.551 0.982 0 N-CA-C 115.406 1.632 . . . . 84.299999999999997 115.406 -172.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 46.8 tttm . . . . . 0 CA--C 1.528 0.113 0 N-CA-C 109.931 -0.396 . . . . 86.239999999999995 109.931 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 55.1 t -106.75 120.11 57.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 121.037 0.446 . . . . 79.159999999999997 111.159 176.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -110.62 173.41 6.35 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.77 -0.826 . . . . 81.030000000000001 108.77 175.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 44.6 t -111.63 124.84 68.76 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 N-CA-C 107.536 -1.283 . . . . 72.599999999999994 107.536 167.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 60.9 tp -113.15 131.91 55.67 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 107.669 -1.234 . . . . 72.129999999999995 107.669 170.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -151.92 172.72 31.25 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 119.932 -1.127 . . . . 73.590000000000003 115.277 -173.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -123.14 156.96 33.99 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 120.71 0.29 . . . . 81.829999999999998 111.471 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' A8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 7.5 pt -127.61 148.52 32.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.094 -0.642 . . . . 79.170000000000002 112.144 172.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.64 131.56 34.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.895 -1.52 . . . . 111.64 106.895 175.244 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.551 1.0 0 CA-C-O 122.978 1.371 . . . . 85.170000000000002 113.574 -174.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_