data_1pfi_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 1pfi _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' ' ' GLY . . . . . 1.212 ' O ' HG23 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.461 0.335 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . 0.477 ' O ' ' HB3' ' A' ' 6' ' ' SER . 73.6 t -114.83 -39.79 2.91 Favored 'Isoleucine or valine' 1 C--N 1.48 6.252 0 CA-C-O 121.9 0.857 . . . . 0.0 110.937 -179.853 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ILE . . . . . 0.414 HG21 ' N ' ' A' ' 4' ' ' ASP . 40.0 mm -65.09 -91.0 0.01 OUTLIER 'Isoleucine or valine' 1 C--N 1.478 6.16 0 CA-C-O 122.11 0.957 . . . . 0.0 110.988 179.954 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASP . . . . . 1.201 ' O ' HG13 ' A' ' 8' ' ' VAL . 26.4 t0 -65.03 -20.6 66.57 Favored 'General case' 1 C--N 1.479 6.235 0 CA-C-O 122.055 0.931 . . . . 0.0 111.032 -179.996 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . 1.212 HG23 ' O ' ' A' ' 1' ' ' GLY . 1.2 m -64.87 -39.98 94.4 Favored 'General case' 1 C--N 1.482 6.329 0 CA-C-O 121.949 0.881 . . . . 0.0 111.131 179.893 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' SER . . . . . 0.477 ' HB3' ' O ' ' A' ' 2' ' ' VAL . 82.6 p -65.16 -39.78 93.44 Favored 'General case' 1 C--N 1.479 6.237 0 CA-C-O 121.875 0.845 . . . . 0.0 111.111 179.972 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.83 93.67 Favored 'General case' 1 C--N 1.477 6.149 0 CA-C-O 121.953 0.883 . . . . 0.0 111.037 179.908 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . 1.201 HG13 ' O ' ' A' ' 4' ' ' ASP . 0.2 OUTLIER -65.01 -40.06 87.77 Favored 'Isoleucine or valine' 1 C--N 1.476 6.082 0 CA-C-O 121.757 0.789 . . . . 0.0 110.895 179.874 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -65.01 -40.15 94.5 Favored 'General case' 1 C--N 1.476 6.099 0 CA-C-O 121.79 0.805 . . . . 0.0 110.84 -179.9 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.8 p -64.95 -39.95 94.27 Favored 'General case' 1 C--N 1.478 6.186 0 CA-C-O 122.077 0.941 . . . . 0.0 110.988 -179.846 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.01 94.33 Favored 'General case' 1 C--N 1.481 6.287 0 CA-C-O 122.027 0.918 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . 1.082 HG22 ' O ' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -65.07 -40.12 87.89 Favored 'Isoleucine or valine' 1 C--N 1.481 6.315 0 CA-C-O 121.857 0.837 . . . . 0.0 110.825 -179.885 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . 0.504 ' N ' HG13 ' A' ' 12' ' ' ILE . 99.6 m -64.78 -40.16 94.8 Favored 'General case' 1 C--N 1.477 6.117 0 O-C-N 119.0 -2.313 . . . . 0.0 110.962 -179.992 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.98 -40.06 94.41 Favored 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.862 0.839 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . 0.738 ' O ' ' CG ' ' A' ' 18' ' ' ASP . . . -75.02 -39.95 36.37 Favored Glycine 1 C--N 1.479 8.503 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 -179.862 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -75.02 -5.04 41.87 Favored 'General case' 1 C--N 1.478 6.182 0 CA-C-O 122.022 0.915 . . . . 0.0 110.963 179.997 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLY . . . . . 0.456 ' HA2' ' HG3' ' A' ' 20' ' ' LYS . . . -69.91 -20.06 75.8 Favored Glycine 1 C--N 1.477 8.374 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . 1.293 ' O ' HG21 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -65.08 -39.91 93.87 Favored 'General case' 1 C--N 1.478 6.187 0 CA-C-O 121.933 0.873 . . . . 0.0 110.895 -179.953 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' MET . . . . . 0.811 ' HA ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -65.12 -40.01 93.88 Favored 'General case' 1 C--N 1.477 6.152 0 CA-C-O 121.81 0.814 . . . . 0.0 110.928 180.0 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HG3' ' HA2' ' A' ' 17' ' ' GLY . 15.0 mttt -64.9 -40.05 94.49 Favored 'General case' 1 C--N 1.478 6.164 0 O-C-N 119.067 -2.271 . . . . 0.0 111.028 179.938 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.01 94.26 Favored 'General case' 1 C--N 1.478 6.187 0 CA-C-O 121.951 0.881 . . . . 0.0 110.993 179.953 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ILE . . . . . 1.476 HD11 ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -64.98 -40.02 87.64 Favored 'Isoleucine or valine' 1 C--N 1.479 6.205 0 CA-C-O 122.012 0.91 . . . . 0.0 110.983 -179.991 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . 1.476 ' N ' HD11 ' A' ' 22' ' ' ILE . . . -60.11 -19.96 52.82 Favored Glycine 1 C--N 1.477 8.392 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.976 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.97 -20.02 52.24 Favored Glycine 1 C--N 1.478 8.466 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -65.05 -39.99 94.1 Favored 'General case' 1 C--N 1.477 6.131 0 CA-C-O 121.724 0.773 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . 0.644 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -64.93 -40.01 87.61 Favored 'Isoleucine or valine' 1 C--N 1.478 6.161 0 CA-C-O 122.013 0.911 . . . . 0.0 111.048 179.98 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . 0.567 ' N ' HG13 ' A' ' 26' ' ' ILE . 3.6 t -65.09 -39.93 87.24 Favored 'Isoleucine or valine' 1 C--N 1.48 6.265 0 CA-C-O 121.813 0.816 . . . . 0.0 110.816 179.999 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLY . . . . . 0.825 ' O ' HG13 ' A' ' 32' ' ' ILE . . . -75.04 -4.97 74.22 Favored Glycine 1 C--N 1.477 8.391 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.826 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 26' ' ' ILE . . . -65.0 -40.06 94.39 Favored 'General case' 1 C--N 1.48 6.282 0 CA-C-O 122.009 0.909 . . . . 0.0 111.075 179.875 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.9 mt -64.82 -40.13 94.71 Favored 'General case' 1 C--N 1.479 6.196 0 CA-C-O 121.91 0.862 . . . . 0.0 111.056 179.961 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . 0.589 HG22 ' HA2' ' A' ' 28' ' ' GLY . 0.4 OUTLIER -65.06 -39.91 87.21 Favored 'Isoleucine or valine' 1 C--N 1.479 6.196 0 CA-C-O 122.035 0.921 . . . . 0.0 111.066 -179.917 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . 0.875 ' HA ' HG21 ' A' ' 35' ' ' VAL . 45.7 mt -64.91 -40.06 87.77 Favored 'Isoleucine or valine' 1 C--N 1.479 6.197 0 CA-C-O 122.071 0.939 . . . . 0.0 110.985 179.89 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -65.12 -39.86 93.66 Favored 'General case' 1 C--N 1.482 6.348 0 CA-C-O 122.056 0.931 . . . . 0.0 110.947 -179.964 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . 0.949 ' O ' HD23 ' A' ' 38' ' ' LEU . . . -65.09 -40.07 94.08 Favored 'General case' 1 C--N 1.48 6.275 0 CA-C-O 121.937 0.875 . . . . 0.0 110.81 -179.981 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' VAL . . . . . 0.886 ' O ' HD13 ' A' ' 39' ' ' ILE . 4.5 m -64.92 -40.02 87.66 Favored 'Isoleucine or valine' 1 C--N 1.478 6.177 0 CA-C-O 121.987 0.898 . . . . 0.0 111.027 179.998 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . 0.61 ' N ' HG22 ' A' ' 35' ' ' VAL . . . -64.95 -39.92 94.23 Favored 'General case' 1 C--N 1.478 6.191 0 CA-C-O 122.025 0.917 . . . . 0.0 111.077 179.97 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . 0.701 ' HA2' ' HD2' ' A' ' 40' ' ' TYR . . . -65.19 -39.92 96.44 Favored Glycine 1 C--N 1.48 8.555 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 -179.928 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . 0.949 HD23 ' O ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -65.08 -39.95 93.95 Favored 'General case' 1 C--N 1.479 6.229 0 CA-C-O 121.952 0.882 . . . . 0.0 110.927 -179.935 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . 0.886 HD13 ' O ' ' A' ' 35' ' ' VAL . 0.3 OUTLIER -65.03 -40.01 87.59 Favored 'Isoleucine or valine' 1 C--N 1.479 6.229 0 CA-C-O 122.009 0.909 . . . . 0.0 110.876 -179.892 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' TYR . . . . . 0.892 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -64.98 -40.08 94.44 Favored 'General case' 1 C--N 1.479 6.218 0 CA-C-O 122.008 0.909 . . . . 0.0 111.001 -179.94 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . 0.568 ' N ' ' CD1' ' A' ' 40' ' ' TYR . 82.1 p -64.98 -40.07 94.42 Favored 'General case' 1 C--N 1.48 6.242 0 CA-C-O 122.136 0.969 . . . . 0.0 111.012 -179.951 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' MET . . . . . 0.599 ' HG2' ' HA ' ' A' ' 39' ' ' ILE . 0.9 OUTLIER -64.97 -40.02 94.36 Favored 'General case' 1 C--N 1.48 6.267 0 CA-C-O 121.845 0.831 . . . . 0.0 110.949 -179.982 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . 0.576 ' N ' ' HG3' ' A' ' 42' ' ' MET . 2.8 tm? -65.01 -39.99 94.25 Favored 'General case' 1 C--N 1.477 6.13 0 CA-C-O 121.845 0.831 . . . . 0.0 110.891 -179.909 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -65.03 -39.86 93.98 Favored 'General case' 1 C--N 1.478 6.164 0 CA-C-O 121.969 0.89 . . . . 0.0 111.002 -179.95 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . 0.572 ' NZ ' " H2'" ' D' ' 1' ' ' ' DC' . 17.4 mmtt -65.11 -40.12 94.08 Favored 'General case' 1 C--N 1.478 6.195 0 CA-C-O 122.004 0.907 . . . . 0.0 110.915 -179.955 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.477 6.129 0 CA-C-O 122.031 0.92 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLY . . . . . 1.207 ' O ' HG23 ' B' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.461 0.351 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . 0.473 ' O ' ' HB3' ' B' ' 6' ' ' SER . 73.1 t -114.85 -39.8 2.91 Favored 'Isoleucine or valine' 1 C--N 1.48 6.264 0 CA-C-O 121.887 0.851 . . . . 0.0 110.888 -179.795 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ILE . . . . . 0.415 HG21 ' N ' ' B' ' 4' ' ' ASP . 40.0 mm -65.06 -91.01 0.01 OUTLIER 'Isoleucine or valine' 1 C--N 1.478 6.156 0 CA-C-O 122.159 0.981 . . . . 0.0 110.965 179.971 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ASP . . . . . 1.188 ' O ' HG13 ' B' ' 8' ' ' VAL . 26.4 t0 -65.06 -20.56 66.54 Favored 'General case' 1 C--N 1.48 6.242 0 CA-C-O 122.076 0.941 . . . . 0.0 111.018 -179.955 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' THR . . . . . 1.207 HG23 ' O ' ' B' ' 1' ' ' GLY . 1.2 m -64.87 -40.02 94.47 Favored 'General case' 1 C--N 1.482 6.344 0 CA-C-O 121.923 0.868 . . . . 0.0 111.113 179.866 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' SER . . . . . 0.473 ' HB3' ' O ' ' B' ' 2' ' ' VAL . 82.6 p -65.15 -39.73 93.38 Favored 'General case' 1 C--N 1.479 6.211 0 CA-C-O 121.911 0.862 . . . . 0.0 111.139 -179.994 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.81 93.48 Favored 'General case' 1 C--N 1.478 6.162 0 CA-C-O 121.922 0.868 . . . . 0.0 111.002 179.914 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' VAL . . . . . 1.188 HG13 ' O ' ' B' ' 4' ' ' ASP . 0.2 OUTLIER -65.03 -40.07 87.8 Favored 'Isoleucine or valine' 1 C--N 1.476 6.071 0 CA-C-O 121.753 0.787 . . . . 0.0 110.915 179.873 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -64.95 -40.19 94.63 Favored 'General case' 1 C--N 1.476 6.075 0 CA-C-O 121.771 0.795 . . . . 0.0 110.836 -179.943 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 82.8 p -64.97 -39.95 94.26 Favored 'General case' 1 C--N 1.478 6.164 0 CA-C-O 122.041 0.924 . . . . 0.0 110.979 -179.82 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.97 -40.01 94.34 Favored 'General case' 1 C--N 1.48 6.282 0 CA-C-O 122.013 0.911 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ILE . . . . . 1.107 HG22 ' O ' ' B' ' 8' ' ' VAL . 0.3 OUTLIER -65.06 -40.13 87.93 Favored 'Isoleucine or valine' 1 C--N 1.481 6.297 0 CA-C-O 121.869 0.842 . . . . 0.0 110.838 -179.903 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' THR . . . . . 0.512 ' N ' HG13 ' B' ' 12' ' ' ILE . 99.4 m -64.8 -40.13 94.73 Favored 'General case' 1 C--N 1.476 6.107 0 O-C-N 118.995 -2.316 . . . . 0.0 111.003 179.994 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.0 -40.05 94.37 Favored 'General case' 1 C--N 1.479 6.236 0 CA-C-O 121.844 0.831 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLY . . . . . 0.735 ' O ' ' CG ' ' B' ' 18' ' ' ASP . . . -75.04 -39.96 36.28 Favored Glycine 1 C--N 1.48 8.529 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.837 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -75.02 -5.03 41.82 Favored 'General case' 1 C--N 1.478 6.183 0 CA-C-O 122.009 0.909 . . . . 0.0 110.949 -179.969 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLY . . . . . 0.464 ' HA2' ' HG3' ' B' ' 20' ' ' LYS . . . -69.98 -20.0 75.86 Favored Glycine 1 C--N 1.477 8.392 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.986 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ASP . . . . . 1.268 ' O ' HG21 ' B' ' 22' ' ' ILE . 0.0 OUTLIER -65.08 -39.92 93.9 Favored 'General case' 1 C--N 1.478 6.185 0 CA-C-O 121.926 0.869 . . . . 0.0 110.91 179.998 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' MET . . . . . 0.817 ' HA ' HG22 ' B' ' 22' ' ' ILE . 0.0 OUTLIER -65.12 -39.97 93.81 Favored 'General case' 1 C--N 1.477 6.151 0 CA-C-O 121.821 0.819 . . . . 0.0 110.96 179.989 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' LYS . . . . . 0.464 ' HG3' ' HA2' ' B' ' 17' ' ' GLY . 15.0 mttt -64.92 -40.08 94.5 Favored 'General case' 1 C--N 1.478 6.179 0 O-C-N 119.083 -2.261 . . . . 0.0 111.002 179.927 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.0 94.32 Favored 'General case' 1 C--N 1.478 6.192 0 CA-C-O 121.965 0.888 . . . . 0.0 111.027 179.949 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ILE . . . . . 1.491 HD11 ' N ' ' B' ' 23' ' ' GLY . 0.0 OUTLIER -64.96 -40.02 87.65 Favored 'Isoleucine or valine' 1 C--N 1.479 6.203 0 CA-C-O 121.995 0.903 . . . . 0.0 110.978 179.994 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . 1.491 ' N ' HD11 ' B' ' 22' ' ' ILE . . . -60.17 -19.92 53.03 Favored Glycine 1 C--N 1.477 8.364 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.946 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.99 -20.02 52.36 Favored Glycine 1 C--N 1.478 8.447 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.944 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -65.03 -40.0 94.17 Favored 'General case' 1 C--N 1.477 6.134 0 CA-C-O 121.755 0.788 . . . . 0.0 110.958 179.926 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ILE . . . . . 0.643 ' O ' ' HB3' ' B' ' 29' ' ' ALA . 0.6 OUTLIER -64.91 -40.0 87.58 Favored 'Isoleucine or valine' 1 C--N 1.478 6.176 0 CA-C-O 122.057 0.932 . . . . 0.0 111.09 179.945 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' VAL . . . . . 0.574 ' N ' HG13 ' B' ' 26' ' ' ILE . 3.6 t -65.11 -39.91 87.12 Favored 'Isoleucine or valine' 1 C--N 1.48 6.281 0 CA-C-O 121.784 0.802 . . . . 0.0 110.826 179.982 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' GLY . . . . . 0.832 ' O ' HG13 ' B' ' 32' ' ' ILE . . . -75.04 -4.97 74.26 Favored Glycine 1 C--N 1.477 8.383 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.834 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' B' ' 26' ' ' ILE . . . -64.99 -40.06 94.39 Favored 'General case' 1 C--N 1.481 6.303 0 CA-C-O 121.994 0.902 . . . . 0.0 111.094 179.887 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 63.9 mt -64.76 -40.16 94.82 Favored 'General case' 1 C--N 1.478 6.189 0 CA-C-O 121.922 0.868 . . . . 0.0 111.073 179.917 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' VAL . . . . . 0.597 HG22 ' HA2' ' B' ' 28' ' ' GLY . 0.4 OUTLIER -65.12 -39.85 86.93 Favored 'Isoleucine or valine' 1 C--N 1.479 6.197 0 CA-C-O 121.982 0.896 . . . . 0.0 111.054 -179.869 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ILE . . . . . 0.877 ' HA ' HG21 ' B' ' 35' ' ' VAL . 45.8 mt -64.91 -40.05 87.77 Favored 'Isoleucine or valine' 1 C--N 1.478 6.19 0 CA-C-O 122.055 0.931 . . . . 0.0 110.98 179.862 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' LEU . . . . . 0.416 ' HG ' ' N ' ' B' ' 34' ' ' ALA . 0.1 OUTLIER -65.15 -39.81 93.51 Favored 'General case' 1 C--N 1.482 6.352 0 CA-C-O 122.007 0.908 . . . . 0.0 110.959 -179.945 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ALA . . . . . 0.935 ' O ' HD23 ' B' ' 38' ' ' LEU . . . -65.14 -40.06 93.89 Favored 'General case' 1 C--N 1.48 6.246 0 CA-C-O 121.928 0.87 . . . . 0.0 110.794 -179.982 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' VAL . . . . . 0.877 HG21 ' HA ' ' B' ' 32' ' ' ILE . 4.5 m -64.89 -40.03 87.67 Favored 'Isoleucine or valine' 1 C--N 1.478 6.161 0 CA-C-O 121.976 0.893 . . . . 0.0 111.044 179.964 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ALA . . . . . 0.611 ' N ' HG22 ' B' ' 35' ' ' VAL . . . -64.96 -39.91 94.2 Favored 'General case' 1 C--N 1.479 6.208 0 CA-C-O 122.022 0.915 . . . . 0.0 111.067 179.983 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLY . . . . . 0.691 ' HA2' ' HD2' ' B' ' 40' ' ' TYR . . . -65.22 -39.88 96.35 Favored Glycine 1 C--N 1.48 8.553 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.891 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' LEU . . . . . 0.935 HD23 ' O ' ' B' ' 34' ' ' ALA . 0.1 OUTLIER -65.07 -39.95 93.98 Favored 'General case' 1 C--N 1.479 6.234 0 CA-C-O 121.946 0.879 . . . . 0.0 110.925 -179.969 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ILE . . . . . 0.877 HD13 ' O ' ' B' ' 35' ' ' VAL . 0.3 OUTLIER -65.05 -39.99 87.48 Favored 'Isoleucine or valine' 1 C--N 1.479 6.216 0 CA-C-O 122.004 0.907 . . . . 0.0 110.886 -179.883 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' TYR . . . . . 0.913 ' CD1' ' C ' ' B' ' 40' ' ' TYR . 0.0 OUTLIER -65.01 -40.08 94.37 Favored 'General case' 1 C--N 1.479 6.197 0 CA-C-O 121.965 0.888 . . . . 0.0 110.99 -179.946 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' SER . . . . . 0.563 ' N ' ' CD1' ' B' ' 40' ' ' TYR . 82.1 p -64.94 -40.11 94.52 Favored 'General case' 1 C--N 1.479 6.212 0 CA-C-O 122.126 0.965 . . . . 0.0 110.991 -179.975 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' MET . . . . . 0.59 ' HG2' ' HA ' ' B' ' 39' ' ' ILE . 0.9 OUTLIER -64.96 -40.04 94.4 Favored 'General case' 1 C--N 1.479 6.225 0 CA-C-O 121.842 0.829 . . . . 0.0 110.935 -179.959 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' LEU . . . . . 0.574 ' N ' ' HG3' ' B' ' 42' ' ' MET . 2.8 tm? -65.01 -39.95 94.17 Favored 'General case' 1 C--N 1.477 6.151 0 CA-C-O 121.851 0.834 . . . . 0.0 110.897 -179.895 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' B' ' 44' ' ' ARG . 4.8 ttt180 -65.09 -39.84 93.74 Favored 'General case' 1 C--N 1.478 6.175 0 CA-C-O 122.006 0.908 . . . . 0.0 110.983 -179.919 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' LYS . . . . . 1.52 ' HG2' ' C5 ' ' C' ' 1' ' ' ' DC' . 17.4 mmtt -65.1 -40.12 94.11 Favored 'General case' 1 C--N 1.479 6.198 0 CA-C-O 121.96 0.886 . . . . 0.0 110.912 -179.97 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.477 6.132 0 CA-C-O 122.02 0.914 . . . . 0.0 110.951 -179.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' ' DC' . . . . . 1.52 ' C5 ' ' HG2' ' B' ' 45' ' ' LYS . . . . . . . . 2 C5'--C4' 1.564 6.666 2 OP1-P-OP2 105.268 -9.554 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' ' DC' . . . . . 0.572 " H2'" ' NZ ' ' A' ' 45' ' ' LYS . . . . . . . . 2 C5'--C4' 1.564 6.666 2 OP1-P-OP2 105.268 -9.554 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . 1.227 ' O ' HG21 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.461 0.335 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' A' ' 6' ' ' SER . 73.6 t -114.83 -39.79 2.91 Favored 'Isoleucine or valine' 1 C--N 1.48 6.252 0 CA-C-O 121.9 0.857 . . . . 0.0 110.937 -179.853 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ILE . . . . . 0.403 HG22 ' N ' ' A' ' 4' ' ' ASP . 40.0 mm -65.09 -91.0 0.01 OUTLIER 'Isoleucine or valine' 1 C--N 1.478 6.16 0 CA-C-O 122.11 0.957 . . . . 0.0 110.988 179.954 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASP . . . . . 1.087 ' O ' HG12 ' A' ' 8' ' ' VAL . 26.4 t0 -65.03 -20.6 66.57 Favored 'General case' 1 C--N 1.479 6.235 0 CA-C-O 122.055 0.931 . . . . 0.0 111.032 -179.996 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . 1.227 HG21 ' O ' ' A' ' 1' ' ' GLY . 1.2 m -64.87 -39.98 94.4 Favored 'General case' 1 C--N 1.482 6.329 0 CA-C-O 121.949 0.881 . . . . 0.0 111.131 179.893 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 6' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 2' ' ' VAL . 82.6 p -65.16 -39.78 93.44 Favored 'General case' 1 C--N 1.479 6.237 0 CA-C-O 121.875 0.845 . . . . 0.0 111.111 179.972 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.83 93.67 Favored 'General case' 1 C--N 1.477 6.149 0 CA-C-O 121.953 0.883 . . . . 0.0 111.037 179.908 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . 1.087 HG12 ' O ' ' A' ' 4' ' ' ASP . 0.2 OUTLIER -65.01 -40.06 87.77 Favored 'Isoleucine or valine' 1 C--N 1.476 6.082 0 CA-C-O 121.757 0.789 . . . . 0.0 110.895 179.874 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -65.01 -40.15 94.5 Favored 'General case' 1 C--N 1.476 6.099 0 CA-C-O 121.79 0.805 . . . . 0.0 110.84 -179.9 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.8 p -64.95 -39.95 94.27 Favored 'General case' 1 C--N 1.478 6.186 0 CA-C-O 122.077 0.941 . . . . 0.0 110.988 -179.846 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.01 94.33 Favored 'General case' 1 C--N 1.481 6.287 0 CA-C-O 122.027 0.918 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . 1.032 HG23 ' O ' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -65.07 -40.12 87.89 Favored 'Isoleucine or valine' 1 C--N 1.481 6.315 0 CA-C-O 121.857 0.837 . . . . 0.0 110.825 -179.885 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . 0.439 ' N ' HG13 ' A' ' 12' ' ' ILE . 99.6 m -64.78 -40.16 94.8 Favored 'General case' 1 C--N 1.477 6.117 0 O-C-N 119.0 -2.313 . . . . 0.0 110.962 -179.992 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.98 -40.06 94.41 Favored 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.862 0.839 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . 0.738 ' O ' ' CG ' ' A' ' 18' ' ' ASP . . . -75.02 -39.95 36.37 Favored Glycine 1 C--N 1.479 8.503 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 -179.862 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -75.02 -5.04 41.87 Favored 'General case' 1 C--N 1.478 6.182 0 CA-C-O 122.022 0.915 . . . . 0.0 110.963 179.997 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.91 -20.06 75.8 Favored Glycine 1 C--N 1.477 8.374 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . 0.942 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -65.08 -39.91 93.87 Favored 'General case' 1 C--N 1.478 6.187 0 CA-C-O 121.933 0.873 . . . . 0.0 110.895 -179.953 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 19' ' ' MET . . . . . 0.58 ' HA ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -65.12 -40.01 93.88 Favored 'General case' 1 C--N 1.477 6.152 0 CA-C-O 121.81 0.814 . . . . 0.0 110.928 180.0 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -64.9 -40.05 94.49 Favored 'General case' 1 C--N 1.478 6.164 0 O-C-N 119.067 -2.271 . . . . 0.0 111.028 179.938 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.01 94.26 Favored 'General case' 1 C--N 1.478 6.187 0 CA-C-O 121.951 0.881 . . . . 0.0 110.993 179.953 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ILE . . . . . 1.292 HD12 ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -64.98 -40.02 87.64 Favored 'Isoleucine or valine' 1 C--N 1.479 6.205 0 CA-C-O 122.012 0.91 . . . . 0.0 110.983 -179.991 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . 1.292 ' N ' HD12 ' A' ' 22' ' ' ILE . . . -60.11 -19.96 52.82 Favored Glycine 1 C--N 1.477 8.392 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.976 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.97 -20.02 52.24 Favored Glycine 1 C--N 1.478 8.466 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -65.05 -39.99 94.1 Favored 'General case' 1 C--N 1.477 6.131 0 CA-C-O 121.724 0.773 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . 0.561 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -64.93 -40.01 87.61 Favored 'Isoleucine or valine' 1 C--N 1.478 6.161 0 CA-C-O 122.013 0.911 . . . . 0.0 111.048 179.98 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . 0.479 ' N ' HG13 ' A' ' 26' ' ' ILE . 3.6 t -65.09 -39.93 87.24 Favored 'Isoleucine or valine' 1 C--N 1.48 6.265 0 CA-C-O 121.813 0.816 . . . . 0.0 110.816 179.999 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLY . . . . . 0.693 ' O ' HG13 ' A' ' 32' ' ' ILE . . . -75.04 -4.97 74.22 Favored Glycine 1 C--N 1.477 8.391 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.826 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 26' ' ' ILE . . . -65.0 -40.06 94.39 Favored 'General case' 1 C--N 1.48 6.282 0 CA-C-O 122.009 0.909 . . . . 0.0 111.075 179.875 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 33' ' ' LEU . 63.9 mt -64.82 -40.13 94.71 Favored 'General case' 1 C--N 1.479 6.196 0 CA-C-O 121.91 0.862 . . . . 0.0 111.056 179.961 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . 0.912 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -65.06 -39.91 87.21 Favored 'Isoleucine or valine' 1 C--N 1.479 6.196 0 CA-C-O 122.035 0.921 . . . . 0.0 111.066 -179.917 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . 0.868 ' O ' HG22 ' A' ' 35' ' ' VAL . 45.7 mt -64.91 -40.06 87.77 Favored 'Isoleucine or valine' 1 C--N 1.479 6.197 0 CA-C-O 122.071 0.939 . . . . 0.0 110.985 179.89 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -65.12 -39.86 93.66 Favored 'General case' 1 C--N 1.482 6.348 0 CA-C-O 122.056 0.931 . . . . 0.0 110.947 -179.964 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . 0.829 ' O ' HD23 ' A' ' 38' ' ' LEU . . . -65.09 -40.07 94.08 Favored 'General case' 1 C--N 1.48 6.275 0 CA-C-O 121.937 0.875 . . . . 0.0 110.81 -179.981 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 35' ' ' VAL . . . . . 0.912 HG13 ' O ' ' A' ' 31' ' ' VAL . 4.5 m -64.92 -40.02 87.66 Favored 'Isoleucine or valine' 1 C--N 1.478 6.177 0 CA-C-O 121.987 0.898 . . . . 0.0 111.027 179.998 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.95 -39.92 94.23 Favored 'General case' 1 C--N 1.478 6.191 0 CA-C-O 122.025 0.917 . . . . 0.0 111.077 179.97 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . 0.489 ' O ' ' CD2' ' A' ' 40' ' ' TYR . . . -65.19 -39.92 96.44 Favored Glycine 1 C--N 1.48 8.555 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 -179.928 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . 0.829 HD23 ' O ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -65.08 -39.95 93.95 Favored 'General case' 1 C--N 1.479 6.229 0 CA-C-O 121.952 0.882 . . . . 0.0 110.927 -179.935 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . 0.665 HD13 ' O ' ' A' ' 35' ' ' VAL . 0.3 OUTLIER -65.03 -40.01 87.59 Favored 'Isoleucine or valine' 1 C--N 1.479 6.229 0 CA-C-O 122.009 0.909 . . . . 0.0 110.876 -179.892 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 40' ' ' TYR . . . . . 0.892 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -64.98 -40.08 94.44 Favored 'General case' 1 C--N 1.479 6.218 0 CA-C-O 122.008 0.909 . . . . 0.0 111.001 -179.94 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . 0.568 ' N ' ' CD1' ' A' ' 40' ' ' TYR . 82.1 p -64.98 -40.07 94.42 Favored 'General case' 1 C--N 1.48 6.242 0 CA-C-O 122.136 0.969 . . . . 0.0 111.012 -179.951 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 42' ' ' MET . . . . . 0.48 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -64.97 -40.02 94.36 Favored 'General case' 1 C--N 1.48 6.267 0 CA-C-O 121.845 0.831 . . . . 0.0 110.949 -179.982 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . 0.48 ' N ' ' HG3' ' A' ' 42' ' ' MET . 2.8 tm? -65.01 -39.99 94.25 Favored 'General case' 1 C--N 1.477 6.13 0 CA-C-O 121.845 0.831 . . . . 0.0 110.891 -179.909 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -65.03 -39.86 93.98 Favored 'General case' 1 C--N 1.478 6.164 0 CA-C-O 121.969 0.89 . . . . 0.0 111.002 -179.95 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . 0.452 ' NZ ' " H2'" ' D' ' 1' ' ' ' DC' . 17.4 mmtt -65.11 -40.12 94.08 Favored 'General case' 1 C--N 1.478 6.195 0 CA-C-O 122.004 0.907 . . . . 0.0 110.915 -179.955 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.477 6.129 0 CA-C-O 122.031 0.92 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLY . . . . . 1.226 ' O ' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.461 0.351 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' B' ' 6' ' ' SER . 73.1 t -114.85 -39.8 2.91 Favored 'Isoleucine or valine' 1 C--N 1.48 6.264 0 CA-C-O 121.887 0.851 . . . . 0.0 110.888 -179.795 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ILE . . . . . 0.401 HG22 ' N ' ' B' ' 4' ' ' ASP . 40.0 mm -65.06 -91.01 0.01 OUTLIER 'Isoleucine or valine' 1 C--N 1.478 6.156 0 CA-C-O 122.159 0.981 . . . . 0.0 110.965 179.971 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ASP . . . . . 1.09 ' O ' HG12 ' B' ' 8' ' ' VAL . 26.4 t0 -65.06 -20.56 66.54 Favored 'General case' 1 C--N 1.48 6.242 0 CA-C-O 122.076 0.941 . . . . 0.0 111.018 -179.955 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 5' ' ' THR . . . . . 1.226 HG21 ' O ' ' B' ' 1' ' ' GLY . 1.2 m -64.87 -40.02 94.47 Favored 'General case' 1 C--N 1.482 6.344 0 CA-C-O 121.923 0.868 . . . . 0.0 111.113 179.866 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 6' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' B' ' 2' ' ' VAL . 82.6 p -65.15 -39.73 93.38 Favored 'General case' 1 C--N 1.479 6.211 0 CA-C-O 121.911 0.862 . . . . 0.0 111.139 -179.994 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.81 93.48 Favored 'General case' 1 C--N 1.478 6.162 0 CA-C-O 121.922 0.868 . . . . 0.0 111.002 179.914 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' VAL . . . . . 1.09 HG12 ' O ' ' B' ' 4' ' ' ASP . 0.2 OUTLIER -65.03 -40.07 87.8 Favored 'Isoleucine or valine' 1 C--N 1.476 6.071 0 CA-C-O 121.753 0.787 . . . . 0.0 110.915 179.873 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -64.95 -40.19 94.63 Favored 'General case' 1 C--N 1.476 6.075 0 CA-C-O 121.771 0.795 . . . . 0.0 110.836 -179.943 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 82.8 p -64.97 -39.95 94.26 Favored 'General case' 1 C--N 1.478 6.164 0 CA-C-O 122.041 0.924 . . . . 0.0 110.979 -179.82 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.97 -40.01 94.34 Favored 'General case' 1 C--N 1.48 6.282 0 CA-C-O 122.013 0.911 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ILE . . . . . 1.038 HG23 ' O ' ' B' ' 8' ' ' VAL . 0.3 OUTLIER -65.06 -40.13 87.93 Favored 'Isoleucine or valine' 1 C--N 1.481 6.297 0 CA-C-O 121.869 0.842 . . . . 0.0 110.838 -179.903 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 13' ' ' THR . . . . . 0.446 ' N ' HG13 ' B' ' 12' ' ' ILE . 99.4 m -64.8 -40.13 94.73 Favored 'General case' 1 C--N 1.476 6.107 0 O-C-N 118.995 -2.316 . . . . 0.0 111.003 179.994 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.0 -40.05 94.37 Favored 'General case' 1 C--N 1.479 6.236 0 CA-C-O 121.844 0.831 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLY . . . . . 0.735 ' O ' ' CG ' ' B' ' 18' ' ' ASP . . . -75.04 -39.96 36.28 Favored Glycine 1 C--N 1.48 8.529 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.837 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -75.02 -5.03 41.82 Favored 'General case' 1 C--N 1.478 6.183 0 CA-C-O 122.009 0.909 . . . . 0.0 110.949 -179.969 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.98 -20.0 75.86 Favored Glycine 1 C--N 1.477 8.392 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ASP . . . . . 0.943 ' O ' ' CG2' ' B' ' 22' ' ' ILE . 0.0 OUTLIER -65.08 -39.92 93.9 Favored 'General case' 1 C--N 1.478 6.185 0 CA-C-O 121.926 0.869 . . . . 0.0 110.91 179.998 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 19' ' ' MET . . . . . 0.569 ' HA ' HG23 ' B' ' 22' ' ' ILE . 0.0 OUTLIER -65.12 -39.97 93.81 Favored 'General case' 1 C--N 1.477 6.151 0 CA-C-O 121.821 0.819 . . . . 0.0 110.96 179.989 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -64.92 -40.08 94.5 Favored 'General case' 1 C--N 1.478 6.179 0 O-C-N 119.083 -2.261 . . . . 0.0 111.002 179.927 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.0 94.32 Favored 'General case' 1 C--N 1.478 6.192 0 CA-C-O 121.965 0.888 . . . . 0.0 111.027 179.949 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ILE . . . . . 1.283 HD12 ' N ' ' B' ' 23' ' ' GLY . 0.0 OUTLIER -64.96 -40.02 87.65 Favored 'Isoleucine or valine' 1 C--N 1.479 6.203 0 CA-C-O 121.995 0.903 . . . . 0.0 110.978 179.994 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . 1.283 ' N ' HD12 ' B' ' 22' ' ' ILE . . . -60.17 -19.92 53.03 Favored Glycine 1 C--N 1.477 8.364 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.946 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.99 -20.02 52.36 Favored Glycine 1 C--N 1.478 8.447 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.944 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -65.03 -40.0 94.17 Favored 'General case' 1 C--N 1.477 6.134 0 CA-C-O 121.755 0.788 . . . . 0.0 110.958 179.926 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ILE . . . . . 0.562 ' O ' ' HB3' ' B' ' 29' ' ' ALA . 0.6 OUTLIER -64.91 -40.0 87.58 Favored 'Isoleucine or valine' 1 C--N 1.478 6.176 0 CA-C-O 122.057 0.932 . . . . 0.0 111.09 179.945 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 27' ' ' VAL . . . . . 0.473 ' N ' HG13 ' B' ' 26' ' ' ILE . 3.6 t -65.11 -39.91 87.12 Favored 'Isoleucine or valine' 1 C--N 1.48 6.281 0 CA-C-O 121.784 0.802 . . . . 0.0 110.826 179.982 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 28' ' ' GLY . . . . . 0.699 ' O ' HG13 ' B' ' 32' ' ' ILE . . . -75.04 -4.97 74.26 Favored Glycine 1 C--N 1.477 8.383 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.834 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' B' ' 26' ' ' ILE . . . -64.99 -40.06 94.39 Favored 'General case' 1 C--N 1.481 6.303 0 CA-C-O 121.994 0.902 . . . . 0.0 111.094 179.887 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' B' ' 33' ' ' LEU . 63.9 mt -64.76 -40.16 94.82 Favored 'General case' 1 C--N 1.478 6.189 0 CA-C-O 121.922 0.868 . . . . 0.0 111.073 179.917 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 31' ' ' VAL . . . . . 0.92 ' O ' HG13 ' B' ' 35' ' ' VAL . 0.4 OUTLIER -65.12 -39.85 86.93 Favored 'Isoleucine or valine' 1 C--N 1.479 6.197 0 CA-C-O 121.982 0.896 . . . . 0.0 111.054 -179.869 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ILE . . . . . 0.869 ' O ' HG22 ' B' ' 35' ' ' VAL . 45.8 mt -64.91 -40.05 87.77 Favored 'Isoleucine or valine' 1 C--N 1.478 6.19 0 CA-C-O 122.055 0.931 . . . . 0.0 110.98 179.862 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 33' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' B' ' 30' ' ' LEU . 0.1 OUTLIER -65.15 -39.81 93.51 Favored 'General case' 1 C--N 1.482 6.352 0 CA-C-O 122.007 0.908 . . . . 0.0 110.959 -179.945 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ALA . . . . . 0.825 ' O ' HD23 ' B' ' 38' ' ' LEU . . . -65.14 -40.06 93.89 Favored 'General case' 1 C--N 1.48 6.246 0 CA-C-O 121.928 0.87 . . . . 0.0 110.794 -179.982 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 35' ' ' VAL . . . . . 0.92 HG13 ' O ' ' B' ' 31' ' ' VAL . 4.5 m -64.89 -40.03 87.67 Favored 'Isoleucine or valine' 1 C--N 1.478 6.161 0 CA-C-O 121.976 0.893 . . . . 0.0 111.044 179.964 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.96 -39.91 94.2 Favored 'General case' 1 C--N 1.479 6.208 0 CA-C-O 122.022 0.915 . . . . 0.0 111.067 179.983 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLY . . . . . 0.496 ' O ' ' CD2' ' B' ' 40' ' ' TYR . . . -65.22 -39.88 96.35 Favored Glycine 1 C--N 1.48 8.553 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.891 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 38' ' ' LEU . . . . . 0.825 HD23 ' O ' ' B' ' 34' ' ' ALA . 0.1 OUTLIER -65.07 -39.95 93.98 Favored 'General case' 1 C--N 1.479 6.234 0 CA-C-O 121.946 0.879 . . . . 0.0 110.925 -179.969 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ILE . . . . . 0.675 HD13 ' O ' ' B' ' 35' ' ' VAL . 0.3 OUTLIER -65.05 -39.99 87.48 Favored 'Isoleucine or valine' 1 C--N 1.479 6.216 0 CA-C-O 122.004 0.907 . . . . 0.0 110.886 -179.883 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 40' ' ' TYR . . . . . 0.913 ' CD1' ' C ' ' B' ' 40' ' ' TYR . 0.0 OUTLIER -65.01 -40.08 94.37 Favored 'General case' 1 C--N 1.479 6.197 0 CA-C-O 121.965 0.888 . . . . 0.0 110.99 -179.946 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 41' ' ' SER . . . . . 0.563 ' N ' ' CD1' ' B' ' 40' ' ' TYR . 82.1 p -64.94 -40.11 94.52 Favored 'General case' 1 C--N 1.479 6.212 0 CA-C-O 122.126 0.965 . . . . 0.0 110.991 -179.975 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 42' ' ' MET . . . . . 0.49 ' HG3' ' N ' ' B' ' 43' ' ' LEU . 0.9 OUTLIER -64.96 -40.04 94.4 Favored 'General case' 1 C--N 1.479 6.225 0 CA-C-O 121.842 0.829 . . . . 0.0 110.935 -179.959 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 43' ' ' LEU . . . . . 0.49 ' N ' ' HG3' ' B' ' 42' ' ' MET . 2.8 tm? -65.01 -39.95 94.17 Favored 'General case' 1 C--N 1.477 6.151 0 CA-C-O 121.851 0.834 . . . . 0.0 110.897 -179.895 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -65.09 -39.84 93.74 Favored 'General case' 1 C--N 1.478 6.175 0 CA-C-O 122.006 0.908 . . . . 0.0 110.983 -179.919 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' LYS . . . . . 1.443 ' HG2' ' C5 ' ' C' ' 1' ' ' ' DC' . 17.4 mmtt -65.1 -40.12 94.11 Favored 'General case' 1 C--N 1.479 6.198 0 CA-C-O 121.96 0.886 . . . . 0.0 110.912 -179.97 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.477 6.132 0 CA-C-O 122.02 0.914 . . . . 0.0 110.951 -179.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 1' ' ' ' DC' . . . . . 1.443 ' C5 ' ' HG2' ' B' ' 45' ' ' LYS . . . . . . . . 2 C5'--C4' 1.564 6.666 2 OP1-P-OP2 105.268 -9.554 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' D' D ' 1' ' ' ' DC' . . . . . 0.452 " H2'" ' NZ ' ' A' ' 45' ' ' LYS . . . . . . . . 2 C5'--C4' 1.564 6.666 2 OP1-P-OP2 105.268 -9.554 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . 1.227 ' O ' HG21 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.461 0.335 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' A' ' 6' ' ' SER . 73.6 t -114.83 -39.79 2.91 Favored 'Isoleucine or valine' 1 C--N 1.48 6.252 0 CA-C-O 121.9 0.857 . . . . 0.0 110.937 -179.853 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.403 HG22 ' N ' ' A' ' 4' ' ' ASP . 40.0 mm -65.09 -91.0 0.01 OUTLIER 'Isoleucine or valine' 1 C--N 1.478 6.16 0 CA-C-O 122.11 0.957 . . . . 0.0 110.988 179.954 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASP . . . . . 1.087 ' O ' HG12 ' A' ' 8' ' ' VAL . 26.4 t0 -65.03 -20.6 66.57 Favored 'General case' 1 C--N 1.479 6.235 0 CA-C-O 122.055 0.931 . . . . 0.0 111.032 -179.996 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . 1.227 HG21 ' O ' ' A' ' 1' ' ' GLY . 1.2 m -64.87 -39.98 94.4 Favored 'General case' 1 C--N 1.482 6.329 0 CA-C-O 121.949 0.881 . . . . 0.0 111.131 179.893 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 2' ' ' VAL . 82.6 p -65.16 -39.78 93.44 Favored 'General case' 1 C--N 1.479 6.237 0 CA-C-O 121.875 0.845 . . . . 0.0 111.111 179.972 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.83 93.67 Favored 'General case' 1 C--N 1.477 6.149 0 CA-C-O 121.953 0.883 . . . . 0.0 111.037 179.908 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . 1.087 HG12 ' O ' ' A' ' 4' ' ' ASP . 0.2 OUTLIER -65.01 -40.06 87.77 Favored 'Isoleucine or valine' 1 C--N 1.476 6.082 0 CA-C-O 121.757 0.789 . . . . 0.0 110.895 179.874 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -65.01 -40.15 94.5 Favored 'General case' 1 C--N 1.476 6.099 0 CA-C-O 121.79 0.805 . . . . 0.0 110.84 -179.9 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.8 p -64.95 -39.95 94.27 Favored 'General case' 1 C--N 1.478 6.186 0 CA-C-O 122.077 0.941 . . . . 0.0 110.988 -179.846 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.01 94.33 Favored 'General case' 1 C--N 1.481 6.287 0 CA-C-O 122.027 0.918 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.032 HG23 ' O ' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -65.07 -40.12 87.89 Favored 'Isoleucine or valine' 1 C--N 1.481 6.315 0 CA-C-O 121.857 0.837 . . . . 0.0 110.825 -179.885 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . 0.439 ' N ' HG13 ' A' ' 12' ' ' ILE . 99.6 m -64.78 -40.16 94.8 Favored 'General case' 1 C--N 1.477 6.117 0 O-C-N 119.0 -2.313 . . . . 0.0 110.962 -179.992 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.98 -40.06 94.41 Favored 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.862 0.839 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.738 ' O ' ' CG ' ' A' ' 18' ' ' ASP . . . -75.02 -39.95 36.37 Favored Glycine 1 C--N 1.479 8.503 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 -179.862 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -75.02 -5.04 41.87 Favored 'General case' 1 C--N 1.478 6.182 0 CA-C-O 122.022 0.915 . . . . 0.0 110.963 179.997 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.91 -20.06 75.8 Favored Glycine 1 C--N 1.477 8.374 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.942 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -65.08 -39.91 93.87 Favored 'General case' 1 C--N 1.478 6.187 0 CA-C-O 121.933 0.873 . . . . 0.0 110.895 -179.953 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . 0.58 ' HA ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -65.12 -40.01 93.88 Favored 'General case' 1 C--N 1.477 6.152 0 CA-C-O 121.81 0.814 . . . . 0.0 110.928 180.0 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -64.9 -40.05 94.49 Favored 'General case' 1 C--N 1.478 6.164 0 O-C-N 119.067 -2.271 . . . . 0.0 111.028 179.938 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.01 94.26 Favored 'General case' 1 C--N 1.478 6.187 0 CA-C-O 121.951 0.881 . . . . 0.0 110.993 179.953 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.292 HD12 ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -64.98 -40.02 87.64 Favored 'Isoleucine or valine' 1 C--N 1.479 6.205 0 CA-C-O 122.012 0.91 . . . . 0.0 110.983 -179.991 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . 1.292 ' N ' HD12 ' A' ' 22' ' ' ILE . . . -60.11 -19.96 52.82 Favored Glycine 1 C--N 1.477 8.392 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.976 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.97 -20.02 52.24 Favored Glycine 1 C--N 1.478 8.466 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -65.05 -39.99 94.1 Favored 'General case' 1 C--N 1.477 6.131 0 CA-C-O 121.724 0.773 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.561 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -64.93 -40.01 87.61 Favored 'Isoleucine or valine' 1 C--N 1.478 6.161 0 CA-C-O 122.013 0.911 . . . . 0.0 111.048 179.98 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.479 ' N ' HG13 ' A' ' 26' ' ' ILE . 3.6 t -65.09 -39.93 87.24 Favored 'Isoleucine or valine' 1 C--N 1.48 6.265 0 CA-C-O 121.813 0.816 . . . . 0.0 110.816 179.999 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.693 ' O ' HG13 ' A' ' 32' ' ' ILE . . . -75.04 -4.97 74.22 Favored Glycine 1 C--N 1.477 8.391 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.826 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 26' ' ' ILE . . . -65.0 -40.06 94.39 Favored 'General case' 1 C--N 1.48 6.282 0 CA-C-O 122.009 0.909 . . . . 0.0 111.075 179.875 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 33' ' ' LEU . 63.9 mt -64.82 -40.13 94.71 Favored 'General case' 1 C--N 1.479 6.196 0 CA-C-O 121.91 0.862 . . . . 0.0 111.056 179.961 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.912 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -65.06 -39.91 87.21 Favored 'Isoleucine or valine' 1 C--N 1.479 6.196 0 CA-C-O 122.035 0.921 . . . . 0.0 111.066 -179.917 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.868 ' O ' HG22 ' A' ' 35' ' ' VAL . 45.7 mt -64.91 -40.06 87.77 Favored 'Isoleucine or valine' 1 C--N 1.479 6.197 0 CA-C-O 122.071 0.939 . . . . 0.0 110.985 179.89 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -65.12 -39.86 93.66 Favored 'General case' 1 C--N 1.482 6.348 0 CA-C-O 122.056 0.931 . . . . 0.0 110.947 -179.964 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.829 ' O ' HD23 ' A' ' 38' ' ' LEU . . . -65.09 -40.07 94.08 Favored 'General case' 1 C--N 1.48 6.275 0 CA-C-O 121.937 0.875 . . . . 0.0 110.81 -179.981 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.912 HG13 ' O ' ' A' ' 31' ' ' VAL . 4.5 m -64.92 -40.02 87.66 Favored 'Isoleucine or valine' 1 C--N 1.478 6.177 0 CA-C-O 121.987 0.898 . . . . 0.0 111.027 179.998 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.95 -39.92 94.23 Favored 'General case' 1 C--N 1.478 6.191 0 CA-C-O 122.025 0.917 . . . . 0.0 111.077 179.97 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.489 ' O ' ' CD2' ' A' ' 40' ' ' TYR . . . -65.19 -39.92 96.44 Favored Glycine 1 C--N 1.48 8.555 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 -179.928 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.829 HD23 ' O ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -65.08 -39.95 93.95 Favored 'General case' 1 C--N 1.479 6.229 0 CA-C-O 121.952 0.882 . . . . 0.0 110.927 -179.935 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.665 HD13 ' O ' ' A' ' 35' ' ' VAL . 0.3 OUTLIER -65.03 -40.01 87.59 Favored 'Isoleucine or valine' 1 C--N 1.479 6.229 0 CA-C-O 122.009 0.909 . . . . 0.0 110.876 -179.892 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.892 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -64.98 -40.08 94.44 Favored 'General case' 1 C--N 1.479 6.218 0 CA-C-O 122.008 0.909 . . . . 0.0 111.001 -179.94 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . 0.568 ' N ' ' CD1' ' A' ' 40' ' ' TYR . 82.1 p -64.98 -40.07 94.42 Favored 'General case' 1 C--N 1.48 6.242 0 CA-C-O 122.136 0.969 . . . . 0.0 111.012 -179.951 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' MET . . . . . 0.48 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -64.97 -40.02 94.36 Favored 'General case' 1 C--N 1.48 6.267 0 CA-C-O 121.845 0.831 . . . . 0.0 110.949 -179.982 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.48 ' N ' ' HG3' ' A' ' 42' ' ' MET . 2.8 tm? -65.01 -39.99 94.25 Favored 'General case' 1 C--N 1.477 6.13 0 CA-C-O 121.845 0.831 . . . . 0.0 110.891 -179.909 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -65.03 -39.86 93.98 Favored 'General case' 1 C--N 1.478 6.164 0 CA-C-O 121.969 0.89 . . . . 0.0 111.002 -179.95 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.452 ' NZ ' " H2'" ' D' ' 1' ' ' ' DC' . 17.4 mmtt -65.11 -40.12 94.08 Favored 'General case' 1 C--N 1.478 6.195 0 CA-C-O 122.004 0.907 . . . . 0.0 110.915 -179.955 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.477 6.129 0 CA-C-O 122.031 0.92 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLY . . . . . 1.226 ' O ' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.461 0.351 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' B' ' 6' ' ' SER . 73.1 t -114.85 -39.8 2.91 Favored 'Isoleucine or valine' 1 C--N 1.48 6.264 0 CA-C-O 121.887 0.851 . . . . 0.0 110.888 -179.795 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.401 HG22 ' N ' ' B' ' 4' ' ' ASP . 40.0 mm -65.06 -91.01 0.01 OUTLIER 'Isoleucine or valine' 1 C--N 1.478 6.156 0 CA-C-O 122.159 0.981 . . . . 0.0 110.965 179.971 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ASP . . . . . 1.09 ' O ' HG12 ' B' ' 8' ' ' VAL . 26.4 t0 -65.06 -20.56 66.54 Favored 'General case' 1 C--N 1.48 6.242 0 CA-C-O 122.076 0.941 . . . . 0.0 111.018 -179.955 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' THR . . . . . 1.226 HG21 ' O ' ' B' ' 1' ' ' GLY . 1.2 m -64.87 -40.02 94.47 Favored 'General case' 1 C--N 1.482 6.344 0 CA-C-O 121.923 0.868 . . . . 0.0 111.113 179.866 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' B' ' 2' ' ' VAL . 82.6 p -65.15 -39.73 93.38 Favored 'General case' 1 C--N 1.479 6.211 0 CA-C-O 121.911 0.862 . . . . 0.0 111.139 -179.994 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.81 93.48 Favored 'General case' 1 C--N 1.478 6.162 0 CA-C-O 121.922 0.868 . . . . 0.0 111.002 179.914 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' VAL . . . . . 1.09 HG12 ' O ' ' B' ' 4' ' ' ASP . 0.2 OUTLIER -65.03 -40.07 87.8 Favored 'Isoleucine or valine' 1 C--N 1.476 6.071 0 CA-C-O 121.753 0.787 . . . . 0.0 110.915 179.873 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -64.95 -40.19 94.63 Favored 'General case' 1 C--N 1.476 6.075 0 CA-C-O 121.771 0.795 . . . . 0.0 110.836 -179.943 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 82.8 p -64.97 -39.95 94.26 Favored 'General case' 1 C--N 1.478 6.164 0 CA-C-O 122.041 0.924 . . . . 0.0 110.979 -179.82 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.97 -40.01 94.34 Favored 'General case' 1 C--N 1.48 6.282 0 CA-C-O 122.013 0.911 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ILE . . . . . 1.038 HG23 ' O ' ' B' ' 8' ' ' VAL . 0.3 OUTLIER -65.06 -40.13 87.93 Favored 'Isoleucine or valine' 1 C--N 1.481 6.297 0 CA-C-O 121.869 0.842 . . . . 0.0 110.838 -179.903 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' THR . . . . . 0.446 ' N ' HG13 ' B' ' 12' ' ' ILE . 99.4 m -64.8 -40.13 94.73 Favored 'General case' 1 C--N 1.476 6.107 0 O-C-N 118.995 -2.316 . . . . 0.0 111.003 179.994 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.0 -40.05 94.37 Favored 'General case' 1 C--N 1.479 6.236 0 CA-C-O 121.844 0.831 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.735 ' O ' ' CG ' ' B' ' 18' ' ' ASP . . . -75.04 -39.96 36.28 Favored Glycine 1 C--N 1.48 8.529 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.837 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -75.02 -5.03 41.82 Favored 'General case' 1 C--N 1.478 6.183 0 CA-C-O 122.009 0.909 . . . . 0.0 110.949 -179.969 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.98 -20.0 75.86 Favored Glycine 1 C--N 1.477 8.392 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.943 ' O ' ' CG2' ' B' ' 22' ' ' ILE . 0.0 OUTLIER -65.08 -39.92 93.9 Favored 'General case' 1 C--N 1.478 6.185 0 CA-C-O 121.926 0.869 . . . . 0.0 110.91 179.998 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' MET . . . . . 0.569 ' HA ' HG23 ' B' ' 22' ' ' ILE . 0.0 OUTLIER -65.12 -39.97 93.81 Favored 'General case' 1 C--N 1.477 6.151 0 CA-C-O 121.821 0.819 . . . . 0.0 110.96 179.989 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -64.92 -40.08 94.5 Favored 'General case' 1 C--N 1.478 6.179 0 O-C-N 119.083 -2.261 . . . . 0.0 111.002 179.927 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.0 94.32 Favored 'General case' 1 C--N 1.478 6.192 0 CA-C-O 121.965 0.888 . . . . 0.0 111.027 179.949 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ILE . . . . . 1.283 HD12 ' N ' ' B' ' 23' ' ' GLY . 0.0 OUTLIER -64.96 -40.02 87.65 Favored 'Isoleucine or valine' 1 C--N 1.479 6.203 0 CA-C-O 121.995 0.903 . . . . 0.0 110.978 179.994 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . 1.283 ' N ' HD12 ' B' ' 22' ' ' ILE . . . -60.17 -19.92 53.03 Favored Glycine 1 C--N 1.477 8.364 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.946 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.99 -20.02 52.36 Favored Glycine 1 C--N 1.478 8.447 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.944 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -65.03 -40.0 94.17 Favored 'General case' 1 C--N 1.477 6.134 0 CA-C-O 121.755 0.788 . . . . 0.0 110.958 179.926 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.562 ' O ' ' HB3' ' B' ' 29' ' ' ALA . 0.6 OUTLIER -64.91 -40.0 87.58 Favored 'Isoleucine or valine' 1 C--N 1.478 6.176 0 CA-C-O 122.057 0.932 . . . . 0.0 111.09 179.945 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.473 ' N ' HG13 ' B' ' 26' ' ' ILE . 3.6 t -65.11 -39.91 87.12 Favored 'Isoleucine or valine' 1 C--N 1.48 6.281 0 CA-C-O 121.784 0.802 . . . . 0.0 110.826 179.982 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' GLY . . . . . 0.699 ' O ' HG13 ' B' ' 32' ' ' ILE . . . -75.04 -4.97 74.26 Favored Glycine 1 C--N 1.477 8.383 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.834 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' B' ' 26' ' ' ILE . . . -64.99 -40.06 94.39 Favored 'General case' 1 C--N 1.481 6.303 0 CA-C-O 121.994 0.902 . . . . 0.0 111.094 179.887 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' B' ' 33' ' ' LEU . 63.9 mt -64.76 -40.16 94.82 Favored 'General case' 1 C--N 1.478 6.189 0 CA-C-O 121.922 0.868 . . . . 0.0 111.073 179.917 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.92 ' O ' HG13 ' B' ' 35' ' ' VAL . 0.4 OUTLIER -65.12 -39.85 86.93 Favored 'Isoleucine or valine' 1 C--N 1.479 6.197 0 CA-C-O 121.982 0.896 . . . . 0.0 111.054 -179.869 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.869 ' O ' HG22 ' B' ' 35' ' ' VAL . 45.8 mt -64.91 -40.05 87.77 Favored 'Isoleucine or valine' 1 C--N 1.478 6.19 0 CA-C-O 122.055 0.931 . . . . 0.0 110.98 179.862 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' B' ' 30' ' ' LEU . 0.1 OUTLIER -65.15 -39.81 93.51 Favored 'General case' 1 C--N 1.482 6.352 0 CA-C-O 122.007 0.908 . . . . 0.0 110.959 -179.945 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.825 ' O ' HD23 ' B' ' 38' ' ' LEU . . . -65.14 -40.06 93.89 Favored 'General case' 1 C--N 1.48 6.246 0 CA-C-O 121.928 0.87 . . . . 0.0 110.794 -179.982 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.92 HG13 ' O ' ' B' ' 31' ' ' VAL . 4.5 m -64.89 -40.03 87.67 Favored 'Isoleucine or valine' 1 C--N 1.478 6.161 0 CA-C-O 121.976 0.893 . . . . 0.0 111.044 179.964 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.96 -39.91 94.2 Favored 'General case' 1 C--N 1.479 6.208 0 CA-C-O 122.022 0.915 . . . . 0.0 111.067 179.983 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLY . . . . . 0.496 ' O ' ' CD2' ' B' ' 40' ' ' TYR . . . -65.22 -39.88 96.35 Favored Glycine 1 C--N 1.48 8.553 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.891 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.825 HD23 ' O ' ' B' ' 34' ' ' ALA . 0.1 OUTLIER -65.07 -39.95 93.98 Favored 'General case' 1 C--N 1.479 6.234 0 CA-C-O 121.946 0.879 . . . . 0.0 110.925 -179.969 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.675 HD13 ' O ' ' B' ' 35' ' ' VAL . 0.3 OUTLIER -65.05 -39.99 87.48 Favored 'Isoleucine or valine' 1 C--N 1.479 6.216 0 CA-C-O 122.004 0.907 . . . . 0.0 110.886 -179.883 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' TYR . . . . . 0.913 ' CD1' ' C ' ' B' ' 40' ' ' TYR . 0.0 OUTLIER -65.01 -40.08 94.37 Favored 'General case' 1 C--N 1.479 6.197 0 CA-C-O 121.965 0.888 . . . . 0.0 110.99 -179.946 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' SER . . . . . 0.563 ' N ' ' CD1' ' B' ' 40' ' ' TYR . 82.1 p -64.94 -40.11 94.52 Favored 'General case' 1 C--N 1.479 6.212 0 CA-C-O 122.126 0.965 . . . . 0.0 110.991 -179.975 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' MET . . . . . 0.49 ' HG3' ' N ' ' B' ' 43' ' ' LEU . 0.9 OUTLIER -64.96 -40.04 94.4 Favored 'General case' 1 C--N 1.479 6.225 0 CA-C-O 121.842 0.829 . . . . 0.0 110.935 -179.959 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.49 ' N ' ' HG3' ' B' ' 42' ' ' MET . 2.8 tm? -65.01 -39.95 94.17 Favored 'General case' 1 C--N 1.477 6.151 0 CA-C-O 121.851 0.834 . . . . 0.0 110.897 -179.895 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -65.09 -39.84 93.74 Favored 'General case' 1 C--N 1.478 6.175 0 CA-C-O 122.006 0.908 . . . . 0.0 110.983 -179.919 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' LYS . . . . . 1.443 ' HG2' ' C5 ' ' C' ' 1' ' ' ' DC' . 17.4 mmtt -65.1 -40.12 94.11 Favored 'General case' 1 C--N 1.479 6.198 0 CA-C-O 121.96 0.886 . . . . 0.0 110.912 -179.97 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.477 6.132 0 CA-C-O 122.02 0.914 . . . . 0.0 110.951 -179.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' ' DC' . . . . . 1.443 ' C5 ' ' HG2' ' B' ' 45' ' ' LYS . . . . . . . . 2 C5'--C4' 1.564 6.666 2 OP1-P-OP2 105.268 -9.554 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' ' DC' . . . . . 0.452 " H2'" ' NZ ' ' A' ' 45' ' ' LYS . . . . . . . . 2 C5'--C4' 1.564 6.666 2 OP1-P-OP2 105.268 -9.554 . . . . 0.0 . . . . . . . . . . 3 2 . 1 stop_ save_