data_2i68_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 2i68 _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 ' 4' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.43 0 CA-C-O 121.943 0.878 . . . . 19.0 110.326 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . . . -56.59 -45.01 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-O 121.875 0.845 . . . . 41.0 110.167 -179.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . . . -60.73 -44.5 96.56 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.899 0.856 . . . . 45.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -60.7 -44.46 96.52 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.898 0.856 . . . . 6.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.75 -44.39 98.01 Favored Glycine 0 N--CA 1.476 1.356 0 N-CA-C 109.305 -1.518 . . . . 42.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.75 -44.43 97.97 Favored Glycine 0 N--CA 1.476 1.366 0 N-CA-C 109.304 -1.518 . . . . 42.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.45 96.79 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.574 -0.957 . . . . 4.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -60.72 -44.46 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-O 121.918 0.866 . . . . 5.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . . . -60.75 -44.44 96.7 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.924 0.868 . . . . 44.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.45 96.68 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.913 0.863 . . . . 40.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . . . -60.74 -44.45 96.66 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.892 0.853 . . . . 2.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . . . -60.74 -44.46 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-O 121.937 0.875 . . . . 14.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -60.75 -44.46 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.836 0.827 . . . . 28.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.73 -44.46 97.91 Favored Glycine 0 N--CA 1.476 1.321 0 N-CA-C 109.309 -1.516 . . . . 10.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . . . -60.73 -44.44 96.65 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.527 -0.984 . . . . 6.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . . . -60.96 -43.68 98.39 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.942 0.877 . . . . 29.0 109.474 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -62.85 -39.27 93.86 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 121.884 0.85 . . . . 28.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.138 0 CA-C-O 122.292 1.044 . . . . 11.0 110.366 179.968 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.436 0 CA-C-O 121.901 0.858 . . . . 30.0 110.349 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -56.19 -46.43 85.82 Favored Glycine 0 N--CA 1.476 1.352 0 N-CA-C 109.817 -1.313 . . . . 44.0 109.817 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -58.94 -46.11 88.81 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.511 -0.994 . . . . 14.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . . . -58.93 -46.05 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-O 121.887 0.851 . . . . 31.0 109.265 179.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . . . -59.0 -46.08 91.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-O 121.917 0.865 . . . . 38.0 109.221 -179.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . . . -58.91 -46.08 88.78 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.903 0.859 . . . . 43.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -58.98 -46.02 89.16 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.944 0.878 . . . . 14.0 109.247 -179.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . . . -58.98 -46.08 89.0 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 121.932 0.873 . . . . 48.0 109.255 179.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.11 88.76 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 121.911 0.862 . . . . 46.0 109.255 -179.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . . . -58.91 -46.1 88.72 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 121.943 0.878 . . . . 4.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . . . -58.92 -46.1 88.77 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 121.88 0.848 . . . . 19.0 109.232 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . . . -58.95 -46.04 88.99 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.885 0.85 . . . . 65.0 109.254 -179.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . . . -58.98 -46.06 89.07 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 121.914 0.864 . . . . 26.0 109.239 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -58.99 -46.06 89.07 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-O 121.885 0.85 . . . . 8.0 109.245 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.11 88.77 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.866 0.841 . . . . 19.0 109.254 179.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -58.94 -46.09 88.83 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 121.92 0.867 . . . . 41.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . . . -59.3 -44.64 92.51 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 121.922 0.868 . . . . 7.0 109.615 -179.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . . . -62.15 -39.37 92.36 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.911 0.863 . . . . 25.0 110.412 -179.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.145 0 CA-C-O 122.286 1.041 . . . . 22.0 110.368 179.964 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.473 0 CA-C-O 121.928 0.871 . . . . 13.0 110.357 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.23 -46.43 79.56 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.926 0.869 . . . . 5.0 109.846 -179.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . . . -58.99 -46.06 89.08 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 121.913 0.864 . . . . 1.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.99 -46.03 89.14 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.884 0.85 . . . . 5.0 109.259 179.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . . . -58.96 -46.12 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-O 121.852 0.834 . . . . 14.0 109.256 179.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . . . -58.89 -46.1 88.66 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 121.883 0.849 . . . . 5.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . . . -58.94 -46.05 88.96 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 121.883 0.849 . . . . 7.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.76 -46.82 92.9 Favored Glycine 0 N--CA 1.477 1.369 0 N-CA-C 109.07 -1.612 . . . . 5.0 109.07 179.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . . . -60.75 -41.42 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 O-C-N 121.581 -0.952 . . . . 11.0 109.145 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -54.15 -34.44 53.07 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . . . -62.74 -42.84 97.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 O-C-N 121.577 -0.955 . . . . 9.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . . . -62.52 -42.83 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 CA-C-O 121.892 0.854 . . . . 19.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . . . -62.54 -42.8 99.76 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.89 0.853 . . . . 10.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . . . -62.57 -42.79 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-O 121.899 0.857 . . . . 11.0 109.35 179.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . . . -62.55 -42.82 99.78 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.891 0.853 . . . . 17.0 109.347 179.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -62.55 -42.8 99.77 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-O 121.938 0.875 . . . . 30.0 109.341 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . . . -62.56 -42.82 99.78 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 121.878 0.847 . . . . 29.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . . . -62.55 -42.86 99.8 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-O 121.888 0.851 . . . . 8.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . . . -62.52 -42.78 99.74 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.941 0.877 . . . . 19.0 109.356 -179.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.6 -42.83 99.65 Favored Glycine 0 N--CA 1.475 1.3 0 N-CA-C 109.326 -1.51 . . . . 41.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . . . -62.49 -42.86 99.79 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.548 -0.972 . . . . 35.0 109.339 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . . . -63.52 -39.17 93.74 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 121.9 0.857 . . . . 19.0 110.149 179.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.387 0 N-CA-C 110.379 -1.088 . . . . 29.0 110.379 -179.995 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 121.949 0.881 . . . . 16.0 110.322 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . . . -56.25 -46.49 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-O 121.859 0.838 . . . . 28.0 109.797 -179.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . . . -58.92 -46.08 91.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-O 121.968 0.889 . . . . 42.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -59.51 -43.95 97.13 Favored Glycine 0 N--CA 1.476 1.316 0 N-CA-C 109.766 -1.333 . . . . 16.0 109.766 179.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . . . -62.17 -41.45 98.33 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 121.537 -0.978 . . . . 17.0 109.808 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . . . -64.16 -41.96 96.94 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.935 0.874 . . . . 48.0 109.193 -179.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . . . -63.24 -42.73 99.24 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 121.871 0.843 . . . . 19.0 109.189 179.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . . . -62.53 -42.8 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-O 121.921 0.867 . . . . 10.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . . . -62.62 -42.8 99.79 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.89 0.852 . . . . 24.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.58 -42.81 99.78 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-O 121.905 0.86 . . . . 30.0 109.339 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -62.56 -42.84 99.66 Favored Glycine 0 N--CA 1.476 1.33 0 N-CA-C 109.318 -1.513 . . . . 6.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . . . -62.5 -42.87 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 121.524 -0.986 . . . . 11.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . . . -62.52 -42.82 99.77 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 121.905 0.859 . . . . 22.0 109.33 -179.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . . . -62.55 -42.85 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-O 121.871 0.843 . . . . 17.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . . . -62.52 -42.83 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-O 121.946 0.879 . . . . 9.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . . . -62.53 -42.78 99.75 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.925 0.869 . . . . 9.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -63.58 -39.17 93.7 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.875 0.845 . . . . 33.0 110.108 -179.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.121 0 CA-C-O 122.332 1.063 . . . . 26.0 110.357 -179.996 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.471 0 CA-C-O 121.891 0.853 . . . . 19.0 110.368 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . . . -56.17 -46.5 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-O 121.908 0.861 . . . . 41.0 109.834 -179.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . . . -58.96 -46.03 89.06 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.865 0.84 . . . . 45.0 109.242 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . . . -58.97 -46.04 89.09 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.976 0.893 . . . . 6.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.32 -44.65 96.38 Favored Glycine 0 N--CA 1.476 1.308 0 N-CA-C 109.599 -1.4 . . . . 42.0 109.599 -179.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.78 -44.38 98.06 Favored Glycine 0 N--CA 1.476 1.334 0 N-CA-C 109.307 -1.517 . . . . 42.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.81 -44.44 96.87 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.567 -0.961 . . . . 4.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . . . -60.73 -44.46 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-O 121.918 0.866 . . . . 5.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . . . -60.72 -44.41 96.65 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.92 0.867 . . . . 44.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.81 -44.38 96.95 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.878 0.847 . . . . 40.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . . . -60.78 -44.4 96.85 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 121.898 0.856 . . . . 2.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . . . -60.81 -44.39 97.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-O 121.886 0.85 . . . . 14.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . . . -60.74 -44.41 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-O 121.943 0.878 . . . . 28.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.96 -43.74 99.02 Favored Glycine 0 N--CA 1.476 1.349 0 N-CA-C 109.48 -1.448 . . . . 10.0 109.48 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . . . -61.41 -44.35 97.29 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 121.508 -0.996 . . . . 6.0 109.187 179.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . . . -60.98 -43.74 98.37 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.905 0.86 . . . . 29.0 109.468 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . . . -62.75 -39.29 93.7 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.909 0.861 . . . . 28.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.16 0 CA-C-O 122.292 1.044 . . . . 11.0 110.377 -179.999 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.464 0 CA-C-O 121.9 0.857 . . . . 30.0 110.335 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -56.62 -45.0 90.96 Favored Glycine 0 N--CA 1.476 1.346 0 N-CA-C 110.138 -1.185 . . . . 44.0 110.138 -179.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . . . -60.75 -44.47 96.66 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.547 -0.973 . . . . 14.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . . . -60.73 -44.44 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-O 121.895 0.855 . . . . 31.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . . . -60.73 -44.42 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-O 121.89 0.852 . . . . 38.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . . . -60.81 -44.4 96.94 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.9 0.857 . . . . 43.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . . . -60.81 -44.38 96.93 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 121.911 0.863 . . . . 14.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . . . -60.77 -44.44 96.75 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.952 0.882 . . . . 48.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.41 96.79 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.901 0.858 . . . . 46.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . . . -60.75 -44.47 96.66 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 121.965 0.888 . . . . 4.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . . . -60.72 -44.43 96.63 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.923 0.868 . . . . 19.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . . . -60.75 -44.5 96.61 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.913 0.863 . . . . 65.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . . . -60.68 -44.44 96.5 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 121.878 0.847 . . . . 26.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . . . -60.75 -44.44 96.71 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.902 0.858 . . . . 8.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.45 96.71 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.895 0.855 . . . . 19.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -60.73 -44.45 96.63 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.911 0.862 . . . . 41.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . . . -60.92 -43.75 98.15 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 121.911 0.862 . . . . 7.0 109.463 179.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . . . -62.78 -39.33 93.88 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 121.916 0.865 . . . . 25.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.189 0 CA-C-O 122.305 1.05 . . . . 22.0 110.405 -179.987 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.462 0 CA-C-O 121.854 0.835 . . . . 13.0 110.363 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.19 -46.47 79.41 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 121.918 0.866 . . . . 5.0 109.848 179.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . . . -58.91 -46.09 88.75 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 121.885 0.85 . . . . 1.0 109.245 179.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.97 -46.06 89.04 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 121.936 0.874 . . . . 5.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . . . -58.93 -46.06 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-O 121.901 0.857 . . . . 14.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' TRP . . . . . . . . . . . . . . . -58.99 -46.06 89.08 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.958 0.885 . . . . 5.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . . . -59.3 -44.62 92.5 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 121.924 0.868 . . . . 7.0 109.598 179.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.78 -44.41 98.02 Favored Glycine 0 N--CA 1.476 1.334 0 N-CA-C 109.311 -1.516 . . . . 5.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . . . -60.8 -44.39 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.559 -0.965 . . . . 11.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.79 -44.44 98.0 Favored Glycine 0 N--CA 1.476 1.361 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . . . -60.69 -44.48 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.591 -0.946 . . . . 9.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . . . -60.73 -44.42 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 CA-C-O 121.951 0.882 . . . . 19.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . . . -60.79 -44.43 96.84 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.885 0.85 . . . . 10.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . . . -60.72 -44.46 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-O 121.87 0.843 . . . . 11.0 109.284 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . . . -60.76 -44.46 96.69 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.876 0.846 . . . . 17.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . . . -60.7 -44.46 96.55 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.852 0.834 . . . . 30.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . . . -60.79 -44.41 96.85 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.918 0.866 . . . . 29.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . . . -60.74 -44.47 96.63 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-O 121.94 0.876 . . . . 8.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . . . -60.73 -44.5 96.57 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 121.885 0.85 . . . . 19.0 109.259 -179.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.75 -44.4 98.0 Favored Glycine 0 N--CA 1.476 1.35 0 N-CA-C 109.305 -1.518 . . . . 41.0 109.305 -179.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . . . -60.94 -43.72 98.26 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 121.52 -0.988 . . . . 35.0 109.469 179.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . . . -62.82 -39.31 93.92 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 121.865 0.84 . . . . 19.0 110.271 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.372 0 N-CA-C 110.386 -1.085 . . . . 29.0 110.386 179.979 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.445 0 CA-C-O 121.914 0.864 . . . . 16.0 110.331 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . . . -56.23 -46.46 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-O 121.937 0.875 . . . . 28.0 109.832 -179.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . . . -58.94 -46.04 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 CA-C-O 121.922 0.868 . . . . 42.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -59.55 -43.86 97.25 Favored Glycine 0 N--CA 1.476 1.354 0 N-CA-C 109.789 -1.324 . . . . 16.0 109.789 -179.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . . . -62.25 -41.49 98.48 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 121.501 -0.999 . . . . 17.0 109.793 -179.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . . . -64.17 -41.9 96.95 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.879 0.847 . . . . 48.0 109.183 -179.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . . . -63.29 -42.72 99.11 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 121.92 0.867 . . . . 19.0 109.174 -179.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . . . -62.57 -42.79 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-O 121.905 0.86 . . . . 10.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' CYS . . . . . . . . . . . . . . . -62.52 -42.87 99.8 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 121.925 0.869 . . . . 24.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.77 99.73 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 121.922 0.868 . . . . 30.0 109.364 179.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -62.62 -42.8 99.65 Favored Glycine 0 N--CA 1.476 1.327 0 N-CA-C 109.329 -1.508 . . . . 6.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . . . -62.53 -42.84 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 121.522 -0.987 . . . . 11.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . . . -62.54 -42.83 99.78 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.871 0.844 . . . . 22.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . . . -62.54 -42.87 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-O 121.91 0.862 . . . . 17.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ILE . . . . . . . . . . . . . . . -62.46 -42.83 97.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-O 121.934 0.873 . . . . 9.0 109.348 -179.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . . . -62.38 -43.56 98.54 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 121.945 0.879 . . . . 9.0 109.181 -179.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . . . -62.82 -39.28 93.81 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 121.9 0.857 . . . . 33.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.139 0 CA-C-O 122.328 1.061 . . . . 26.0 110.356 179.988 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.43 0 CA-C-O 121.943 0.878 . . . . 19.0 110.326 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . . . -56.59 -45.01 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-O 121.875 0.845 . . . . 41.0 110.167 -179.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . . . -60.73 -44.5 96.56 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.899 0.856 . . . . 45.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -60.7 -44.46 96.52 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.898 0.856 . . . . 6.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.75 -44.39 98.01 Favored Glycine 0 N--CA 1.476 1.356 0 N-CA-C 109.305 -1.518 . . . . 42.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.75 -44.43 97.97 Favored Glycine 0 N--CA 1.476 1.366 0 N-CA-C 109.304 -1.518 . . . . 42.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.45 96.79 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.574 -0.957 . . . . 4.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -60.72 -44.46 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-O 121.918 0.866 . . . . 5.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . . . -60.75 -44.44 96.7 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.924 0.868 . . . . 44.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.45 96.68 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.913 0.863 . . . . 40.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . . . -60.74 -44.45 96.66 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.892 0.853 . . . . 2.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . . . -60.74 -44.46 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-O 121.937 0.875 . . . . 14.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -60.75 -44.46 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.836 0.827 . . . . 28.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.73 -44.46 97.91 Favored Glycine 0 N--CA 1.476 1.321 0 N-CA-C 109.309 -1.516 . . . . 10.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . . . -60.73 -44.44 96.65 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.527 -0.984 . . . . 6.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . . . -60.96 -43.68 98.39 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.942 0.877 . . . . 29.0 109.474 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -62.85 -39.27 93.86 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 121.884 0.85 . . . . 28.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.138 0 CA-C-O 122.292 1.044 . . . . 11.0 110.366 179.968 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.436 0 CA-C-O 121.901 0.858 . . . . 30.0 110.349 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -56.19 -46.43 85.82 Favored Glycine 0 N--CA 1.476 1.352 0 N-CA-C 109.817 -1.313 . . . . 44.0 109.817 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -58.94 -46.11 88.81 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.511 -0.994 . . . . 14.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . . . -58.93 -46.05 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-O 121.887 0.851 . . . . 31.0 109.265 179.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . . . -59.0 -46.08 91.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-O 121.917 0.865 . . . . 38.0 109.221 -179.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . . . -58.91 -46.08 88.78 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.903 0.859 . . . . 43.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -58.98 -46.02 89.16 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.944 0.878 . . . . 14.0 109.247 -179.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . . . -58.98 -46.08 89.0 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 121.932 0.873 . . . . 48.0 109.255 179.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.11 88.76 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 121.911 0.862 . . . . 46.0 109.255 -179.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . . . -58.91 -46.1 88.72 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 121.943 0.878 . . . . 4.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . . . -58.92 -46.1 88.77 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 121.88 0.848 . . . . 19.0 109.232 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . . . -58.95 -46.04 88.99 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.885 0.85 . . . . 65.0 109.254 -179.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . . . -58.98 -46.06 89.07 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 121.914 0.864 . . . . 26.0 109.239 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -58.99 -46.06 89.07 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-O 121.885 0.85 . . . . 8.0 109.245 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.11 88.77 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.866 0.841 . . . . 19.0 109.254 179.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -58.94 -46.09 88.83 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 121.92 0.867 . . . . 41.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . . . -59.3 -44.64 92.51 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 121.922 0.868 . . . . 7.0 109.615 -179.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . . . -62.15 -39.37 92.36 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.911 0.863 . . . . 25.0 110.412 -179.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.145 0 CA-C-O 122.286 1.041 . . . . 22.0 110.368 179.964 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.473 0 CA-C-O 121.928 0.871 . . . . 13.0 110.357 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.23 -46.43 79.56 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.926 0.869 . . . . 5.0 109.846 -179.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . . . -58.99 -46.06 89.08 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 121.913 0.864 . . . . 1.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.99 -46.03 89.14 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.884 0.85 . . . . 5.0 109.259 179.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . . . -58.96 -46.12 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-O 121.852 0.834 . . . . 14.0 109.256 179.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . . . -58.89 -46.1 88.66 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 121.883 0.849 . . . . 5.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . . . -58.94 -46.05 88.96 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 121.883 0.849 . . . . 7.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.76 -46.82 92.9 Favored Glycine 0 N--CA 1.477 1.369 0 N-CA-C 109.07 -1.612 . . . . 5.0 109.07 179.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . . . -60.75 -41.42 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 O-C-N 121.581 -0.952 . . . . 11.0 109.145 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -54.15 -34.44 53.07 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . . . -62.74 -42.84 97.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 O-C-N 121.577 -0.955 . . . . 9.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . . . -62.52 -42.83 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 CA-C-O 121.892 0.854 . . . . 19.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . . . -62.54 -42.8 99.76 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.89 0.853 . . . . 10.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . . . -62.57 -42.79 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-O 121.899 0.857 . . . . 11.0 109.35 179.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . . . -62.55 -42.82 99.78 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.891 0.853 . . . . 17.0 109.347 179.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -62.55 -42.8 99.77 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-O 121.938 0.875 . . . . 30.0 109.341 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . . . -62.56 -42.82 99.78 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 121.878 0.847 . . . . 29.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . . . -62.55 -42.86 99.8 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-O 121.888 0.851 . . . . 8.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . . . -62.52 -42.78 99.74 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.941 0.877 . . . . 19.0 109.356 -179.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.6 -42.83 99.65 Favored Glycine 0 N--CA 1.475 1.3 0 N-CA-C 109.326 -1.51 . . . . 41.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . . . -62.49 -42.86 99.79 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.548 -0.972 . . . . 35.0 109.339 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . . . -63.52 -39.17 93.74 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 121.9 0.857 . . . . 19.0 110.149 179.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.387 0 N-CA-C 110.379 -1.088 . . . . 29.0 110.379 -179.995 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 121.949 0.881 . . . . 16.0 110.322 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . . . -56.25 -46.49 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-O 121.859 0.838 . . . . 28.0 109.797 -179.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . . . -58.92 -46.08 91.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-O 121.968 0.889 . . . . 42.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -59.51 -43.95 97.13 Favored Glycine 0 N--CA 1.476 1.316 0 N-CA-C 109.766 -1.333 . . . . 16.0 109.766 179.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . . . -62.17 -41.45 98.33 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 121.537 -0.978 . . . . 17.0 109.808 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . . . -64.16 -41.96 96.94 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.935 0.874 . . . . 48.0 109.193 -179.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . . . -63.24 -42.73 99.24 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 121.871 0.843 . . . . 19.0 109.189 179.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . . . -62.53 -42.8 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-O 121.921 0.867 . . . . 10.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . . . -62.62 -42.8 99.79 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.89 0.852 . . . . 24.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.58 -42.81 99.78 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-O 121.905 0.86 . . . . 30.0 109.339 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -62.56 -42.84 99.66 Favored Glycine 0 N--CA 1.476 1.33 0 N-CA-C 109.318 -1.513 . . . . 6.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . . . -62.5 -42.87 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 121.524 -0.986 . . . . 11.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . . . -62.52 -42.82 99.77 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 121.905 0.859 . . . . 22.0 109.33 -179.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . . . -62.55 -42.85 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-O 121.871 0.843 . . . . 17.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . . . -62.52 -42.83 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-O 121.946 0.879 . . . . 9.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . . . -62.53 -42.78 99.75 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.925 0.869 . . . . 9.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -63.58 -39.17 93.7 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.875 0.845 . . . . 33.0 110.108 -179.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.121 0 CA-C-O 122.332 1.063 . . . . 26.0 110.357 -179.996 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.471 0 CA-C-O 121.891 0.853 . . . . 19.0 110.368 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . . . -56.17 -46.5 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-O 121.908 0.861 . . . . 41.0 109.834 -179.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . . . -58.96 -46.03 89.06 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.865 0.84 . . . . 45.0 109.242 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . . . -58.97 -46.04 89.09 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.976 0.893 . . . . 6.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.32 -44.65 96.38 Favored Glycine 0 N--CA 1.476 1.308 0 N-CA-C 109.599 -1.4 . . . . 42.0 109.599 -179.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.78 -44.38 98.06 Favored Glycine 0 N--CA 1.476 1.334 0 N-CA-C 109.307 -1.517 . . . . 42.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.81 -44.44 96.87 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.567 -0.961 . . . . 4.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . . . -60.73 -44.46 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-O 121.918 0.866 . . . . 5.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . . . -60.72 -44.41 96.65 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.92 0.867 . . . . 44.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.81 -44.38 96.95 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.878 0.847 . . . . 40.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . . . -60.78 -44.4 96.85 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 121.898 0.856 . . . . 2.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . . . -60.81 -44.39 97.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-O 121.886 0.85 . . . . 14.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . . . -60.74 -44.41 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-O 121.943 0.878 . . . . 28.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.96 -43.74 99.02 Favored Glycine 0 N--CA 1.476 1.349 0 N-CA-C 109.48 -1.448 . . . . 10.0 109.48 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . . . -61.41 -44.35 97.29 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 121.508 -0.996 . . . . 6.0 109.187 179.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . . . -60.98 -43.74 98.37 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.905 0.86 . . . . 29.0 109.468 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . . . -62.75 -39.29 93.7 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.909 0.861 . . . . 28.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.16 0 CA-C-O 122.292 1.044 . . . . 11.0 110.377 -179.999 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.464 0 CA-C-O 121.9 0.857 . . . . 30.0 110.335 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -56.62 -45.0 90.96 Favored Glycine 0 N--CA 1.476 1.346 0 N-CA-C 110.138 -1.185 . . . . 44.0 110.138 -179.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . . . -60.75 -44.47 96.66 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.547 -0.973 . . . . 14.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . . . -60.73 -44.44 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-O 121.895 0.855 . . . . 31.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . . . -60.73 -44.42 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-O 121.89 0.852 . . . . 38.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . . . -60.81 -44.4 96.94 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.9 0.857 . . . . 43.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . . . -60.81 -44.38 96.93 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 121.911 0.863 . . . . 14.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . . . -60.77 -44.44 96.75 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.952 0.882 . . . . 48.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.41 96.79 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.901 0.858 . . . . 46.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . . . -60.75 -44.47 96.66 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 121.965 0.888 . . . . 4.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . . . -60.72 -44.43 96.63 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.923 0.868 . . . . 19.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . . . -60.75 -44.5 96.61 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.913 0.863 . . . . 65.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . . . -60.68 -44.44 96.5 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 121.878 0.847 . . . . 26.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . . . -60.75 -44.44 96.71 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.902 0.858 . . . . 8.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.45 96.71 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.895 0.855 . . . . 19.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -60.73 -44.45 96.63 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.911 0.862 . . . . 41.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . . . -60.92 -43.75 98.15 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 121.911 0.862 . . . . 7.0 109.463 179.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . . . -62.78 -39.33 93.88 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 121.916 0.865 . . . . 25.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.189 0 CA-C-O 122.305 1.05 . . . . 22.0 110.405 -179.987 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.462 0 CA-C-O 121.854 0.835 . . . . 13.0 110.363 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.19 -46.47 79.41 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 121.918 0.866 . . . . 5.0 109.848 179.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . . . -58.91 -46.09 88.75 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 121.885 0.85 . . . . 1.0 109.245 179.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.97 -46.06 89.04 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 121.936 0.874 . . . . 5.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . . . -58.93 -46.06 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-O 121.901 0.857 . . . . 14.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' TRP . . . . . . . . . . . . . . . -58.99 -46.06 89.08 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.958 0.885 . . . . 5.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . . . -59.3 -44.62 92.5 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 121.924 0.868 . . . . 7.0 109.598 179.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.78 -44.41 98.02 Favored Glycine 0 N--CA 1.476 1.334 0 N-CA-C 109.311 -1.516 . . . . 5.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . . . -60.8 -44.39 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.559 -0.965 . . . . 11.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.79 -44.44 98.0 Favored Glycine 0 N--CA 1.476 1.361 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . . . -60.69 -44.48 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.591 -0.946 . . . . 9.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . . . -60.73 -44.42 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 CA-C-O 121.951 0.882 . . . . 19.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . . . -60.79 -44.43 96.84 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.885 0.85 . . . . 10.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . . . -60.72 -44.46 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-O 121.87 0.843 . . . . 11.0 109.284 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . . . -60.76 -44.46 96.69 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.876 0.846 . . . . 17.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . . . -60.7 -44.46 96.55 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.852 0.834 . . . . 30.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . . . -60.79 -44.41 96.85 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.918 0.866 . . . . 29.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . . . -60.74 -44.47 96.63 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-O 121.94 0.876 . . . . 8.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . . . -60.73 -44.5 96.57 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 121.885 0.85 . . . . 19.0 109.259 -179.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.75 -44.4 98.0 Favored Glycine 0 N--CA 1.476 1.35 0 N-CA-C 109.305 -1.518 . . . . 41.0 109.305 -179.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . . . -60.94 -43.72 98.26 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 121.52 -0.988 . . . . 35.0 109.469 179.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . . . -62.82 -39.31 93.92 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 121.865 0.84 . . . . 19.0 110.271 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.372 0 N-CA-C 110.386 -1.085 . . . . 29.0 110.386 179.979 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.445 0 CA-C-O 121.914 0.864 . . . . 16.0 110.331 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . . . -56.23 -46.46 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-O 121.937 0.875 . . . . 28.0 109.832 -179.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . . . -58.94 -46.04 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 CA-C-O 121.922 0.868 . . . . 42.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -59.55 -43.86 97.25 Favored Glycine 0 N--CA 1.476 1.354 0 N-CA-C 109.789 -1.324 . . . . 16.0 109.789 -179.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . . . -62.25 -41.49 98.48 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 121.501 -0.999 . . . . 17.0 109.793 -179.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . . . -64.17 -41.9 96.95 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.879 0.847 . . . . 48.0 109.183 -179.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . . . -63.29 -42.72 99.11 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 121.92 0.867 . . . . 19.0 109.174 -179.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . . . -62.57 -42.79 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-O 121.905 0.86 . . . . 10.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' CYS . . . . . . . . . . . . . . . -62.52 -42.87 99.8 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 121.925 0.869 . . . . 24.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.77 99.73 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 121.922 0.868 . . . . 30.0 109.364 179.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -62.62 -42.8 99.65 Favored Glycine 0 N--CA 1.476 1.327 0 N-CA-C 109.329 -1.508 . . . . 6.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . . . -62.53 -42.84 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 121.522 -0.987 . . . . 11.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . . . -62.54 -42.83 99.78 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.871 0.844 . . . . 22.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . . . -62.54 -42.87 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-O 121.91 0.862 . . . . 17.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ILE . . . . . . . . . . . . . . . -62.46 -42.83 97.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-O 121.934 0.873 . . . . 9.0 109.348 -179.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . . . -62.38 -43.56 98.54 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 121.945 0.879 . . . . 9.0 109.181 -179.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . . . -62.82 -39.28 93.81 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 121.9 0.857 . . . . 33.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.139 0 CA-C-O 122.328 1.061 . . . . 26.0 110.356 179.988 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.43 0 CA-C-O 121.943 0.878 . . . . 19.0 110.326 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . . . -56.59 -45.01 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-O 121.875 0.845 . . . . 41.0 110.167 -179.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . . . -60.73 -44.5 96.56 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.899 0.856 . . . . 45.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -60.7 -44.46 96.52 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.898 0.856 . . . . 6.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.75 -44.39 98.01 Favored Glycine 0 N--CA 1.476 1.356 0 N-CA-C 109.305 -1.518 . . . . 42.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.75 -44.43 97.97 Favored Glycine 0 N--CA 1.476 1.366 0 N-CA-C 109.304 -1.518 . . . . 42.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.45 96.79 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.574 -0.957 . . . . 4.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -60.72 -44.46 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-O 121.918 0.866 . . . . 5.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . . . -60.75 -44.44 96.7 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.924 0.868 . . . . 44.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.45 96.68 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.913 0.863 . . . . 40.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . . . -60.74 -44.45 96.66 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.892 0.853 . . . . 2.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . . . -60.74 -44.46 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-O 121.937 0.875 . . . . 14.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -60.75 -44.46 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.836 0.827 . . . . 28.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.73 -44.46 97.91 Favored Glycine 0 N--CA 1.476 1.321 0 N-CA-C 109.309 -1.516 . . . . 10.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . . . -60.73 -44.44 96.65 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.527 -0.984 . . . . 6.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . . . -60.96 -43.68 98.39 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.942 0.877 . . . . 29.0 109.474 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -62.85 -39.27 93.86 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 121.884 0.85 . . . . 28.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.138 0 CA-C-O 122.292 1.044 . . . . 11.0 110.366 179.968 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.436 0 CA-C-O 121.901 0.858 . . . . 30.0 110.349 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -56.19 -46.43 85.82 Favored Glycine 0 N--CA 1.476 1.352 0 N-CA-C 109.817 -1.313 . . . . 44.0 109.817 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -58.94 -46.11 88.81 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.511 -0.994 . . . . 14.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . . . -58.93 -46.05 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-O 121.887 0.851 . . . . 31.0 109.265 179.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . . . -59.0 -46.08 91.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-O 121.917 0.865 . . . . 38.0 109.221 -179.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . . . -58.91 -46.08 88.78 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.903 0.859 . . . . 43.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -58.98 -46.02 89.16 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.944 0.878 . . . . 14.0 109.247 -179.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . . . -58.98 -46.08 89.0 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 121.932 0.873 . . . . 48.0 109.255 179.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.11 88.76 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 121.911 0.862 . . . . 46.0 109.255 -179.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . . . -58.91 -46.1 88.72 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 121.943 0.878 . . . . 4.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . . . -58.92 -46.1 88.77 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 121.88 0.848 . . . . 19.0 109.232 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . . . -58.95 -46.04 88.99 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.885 0.85 . . . . 65.0 109.254 -179.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . . . -58.98 -46.06 89.07 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 121.914 0.864 . . . . 26.0 109.239 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -58.99 -46.06 89.07 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-O 121.885 0.85 . . . . 8.0 109.245 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.11 88.77 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.866 0.841 . . . . 19.0 109.254 179.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -58.94 -46.09 88.83 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 121.92 0.867 . . . . 41.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . . . -59.3 -44.64 92.51 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 121.922 0.868 . . . . 7.0 109.615 -179.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . . . -62.15 -39.37 92.36 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.911 0.863 . . . . 25.0 110.412 -179.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.145 0 CA-C-O 122.286 1.041 . . . . 22.0 110.368 179.964 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.473 0 CA-C-O 121.928 0.871 . . . . 13.0 110.357 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.23 -46.43 79.56 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.926 0.869 . . . . 5.0 109.846 -179.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . . . -58.99 -46.06 89.08 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 121.913 0.864 . . . . 1.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.99 -46.03 89.14 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.884 0.85 . . . . 5.0 109.259 179.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . . . -58.96 -46.12 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-O 121.852 0.834 . . . . 14.0 109.256 179.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . . . -58.89 -46.1 88.66 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 121.883 0.849 . . . . 5.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . . . -58.94 -46.05 88.96 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 121.883 0.849 . . . . 7.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.76 -46.82 92.9 Favored Glycine 0 N--CA 1.477 1.369 0 N-CA-C 109.07 -1.612 . . . . 5.0 109.07 179.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . . . -60.75 -41.42 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 O-C-N 121.581 -0.952 . . . . 11.0 109.145 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -54.15 -34.44 53.07 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . . . -62.74 -42.84 97.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 O-C-N 121.577 -0.955 . . . . 9.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . . . -62.52 -42.83 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 CA-C-O 121.892 0.854 . . . . 19.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . . . -62.54 -42.8 99.76 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.89 0.853 . . . . 10.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . . . -62.57 -42.79 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-O 121.899 0.857 . . . . 11.0 109.35 179.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . . . -62.55 -42.82 99.78 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.891 0.853 . . . . 17.0 109.347 179.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -62.55 -42.8 99.77 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-O 121.938 0.875 . . . . 30.0 109.341 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . . . -62.56 -42.82 99.78 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 121.878 0.847 . . . . 29.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . . . -62.55 -42.86 99.8 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-O 121.888 0.851 . . . . 8.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . . . -62.52 -42.78 99.74 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.941 0.877 . . . . 19.0 109.356 -179.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.6 -42.83 99.65 Favored Glycine 0 N--CA 1.475 1.3 0 N-CA-C 109.326 -1.51 . . . . 41.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . . . -62.49 -42.86 99.79 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.548 -0.972 . . . . 35.0 109.339 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . . . -63.52 -39.17 93.74 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 121.9 0.857 . . . . 19.0 110.149 179.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.387 0 N-CA-C 110.379 -1.088 . . . . 29.0 110.379 -179.995 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 121.949 0.881 . . . . 16.0 110.322 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . . . -56.25 -46.49 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-O 121.859 0.838 . . . . 28.0 109.797 -179.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . . . -58.92 -46.08 91.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-O 121.968 0.889 . . . . 42.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -59.51 -43.95 97.13 Favored Glycine 0 N--CA 1.476 1.316 0 N-CA-C 109.766 -1.333 . . . . 16.0 109.766 179.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . . . -62.17 -41.45 98.33 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 121.537 -0.978 . . . . 17.0 109.808 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . . . -64.16 -41.96 96.94 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.935 0.874 . . . . 48.0 109.193 -179.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . . . -63.24 -42.73 99.24 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 121.871 0.843 . . . . 19.0 109.189 179.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . . . -62.53 -42.8 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-O 121.921 0.867 . . . . 10.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . . . -62.62 -42.8 99.79 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.89 0.852 . . . . 24.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.58 -42.81 99.78 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-O 121.905 0.86 . . . . 30.0 109.339 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -62.56 -42.84 99.66 Favored Glycine 0 N--CA 1.476 1.33 0 N-CA-C 109.318 -1.513 . . . . 6.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . . . -62.5 -42.87 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 121.524 -0.986 . . . . 11.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . . . -62.52 -42.82 99.77 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 121.905 0.859 . . . . 22.0 109.33 -179.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . . . -62.55 -42.85 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-O 121.871 0.843 . . . . 17.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . . . -62.52 -42.83 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-O 121.946 0.879 . . . . 9.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . . . -62.53 -42.78 99.75 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.925 0.869 . . . . 9.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -63.58 -39.17 93.7 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.875 0.845 . . . . 33.0 110.108 -179.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.121 0 CA-C-O 122.332 1.063 . . . . 26.0 110.357 -179.996 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.471 0 CA-C-O 121.891 0.853 . . . . 19.0 110.368 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . . . -56.17 -46.5 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-O 121.908 0.861 . . . . 41.0 109.834 -179.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . . . -58.96 -46.03 89.06 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.865 0.84 . . . . 45.0 109.242 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . . . -58.97 -46.04 89.09 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.976 0.893 . . . . 6.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.32 -44.65 96.38 Favored Glycine 0 N--CA 1.476 1.308 0 N-CA-C 109.599 -1.4 . . . . 42.0 109.599 -179.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.78 -44.38 98.06 Favored Glycine 0 N--CA 1.476 1.334 0 N-CA-C 109.307 -1.517 . . . . 42.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.81 -44.44 96.87 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.567 -0.961 . . . . 4.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . . . -60.73 -44.46 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-O 121.918 0.866 . . . . 5.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . . . -60.72 -44.41 96.65 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.92 0.867 . . . . 44.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.81 -44.38 96.95 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.878 0.847 . . . . 40.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . . . -60.78 -44.4 96.85 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 121.898 0.856 . . . . 2.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . . . -60.81 -44.39 97.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-O 121.886 0.85 . . . . 14.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . . . -60.74 -44.41 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-O 121.943 0.878 . . . . 28.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.96 -43.74 99.02 Favored Glycine 0 N--CA 1.476 1.349 0 N-CA-C 109.48 -1.448 . . . . 10.0 109.48 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . . . -61.41 -44.35 97.29 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 121.508 -0.996 . . . . 6.0 109.187 179.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . . . -60.98 -43.74 98.37 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.905 0.86 . . . . 29.0 109.468 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . . . -62.75 -39.29 93.7 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.909 0.861 . . . . 28.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.16 0 CA-C-O 122.292 1.044 . . . . 11.0 110.377 -179.999 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.464 0 CA-C-O 121.9 0.857 . . . . 30.0 110.335 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -56.62 -45.0 90.96 Favored Glycine 0 N--CA 1.476 1.346 0 N-CA-C 110.138 -1.185 . . . . 44.0 110.138 -179.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . . . -60.75 -44.47 96.66 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.547 -0.973 . . . . 14.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . . . -60.73 -44.44 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-O 121.895 0.855 . . . . 31.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . . . -60.73 -44.42 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-O 121.89 0.852 . . . . 38.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . . . -60.81 -44.4 96.94 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.9 0.857 . . . . 43.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . . . -60.81 -44.38 96.93 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 121.911 0.863 . . . . 14.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . . . -60.77 -44.44 96.75 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.952 0.882 . . . . 48.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.41 96.79 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.901 0.858 . . . . 46.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . . . -60.75 -44.47 96.66 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 121.965 0.888 . . . . 4.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . . . -60.72 -44.43 96.63 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.923 0.868 . . . . 19.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . . . -60.75 -44.5 96.61 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.913 0.863 . . . . 65.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . . . -60.68 -44.44 96.5 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 121.878 0.847 . . . . 26.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . . . -60.75 -44.44 96.71 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.902 0.858 . . . . 8.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.45 96.71 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.895 0.855 . . . . 19.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -60.73 -44.45 96.63 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.911 0.862 . . . . 41.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . . . -60.92 -43.75 98.15 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 121.911 0.862 . . . . 7.0 109.463 179.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . . . -62.78 -39.33 93.88 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 121.916 0.865 . . . . 25.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.189 0 CA-C-O 122.305 1.05 . . . . 22.0 110.405 -179.987 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.462 0 CA-C-O 121.854 0.835 . . . . 13.0 110.363 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.19 -46.47 79.41 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 121.918 0.866 . . . . 5.0 109.848 179.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . . . -58.91 -46.09 88.75 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 121.885 0.85 . . . . 1.0 109.245 179.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.97 -46.06 89.04 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 121.936 0.874 . . . . 5.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . . . -58.93 -46.06 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-O 121.901 0.857 . . . . 14.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' TRP . . . . . . . . . . . . . . . -58.99 -46.06 89.08 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.958 0.885 . . . . 5.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . . . -59.3 -44.62 92.5 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 121.924 0.868 . . . . 7.0 109.598 179.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.78 -44.41 98.02 Favored Glycine 0 N--CA 1.476 1.334 0 N-CA-C 109.311 -1.516 . . . . 5.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . . . -60.8 -44.39 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.559 -0.965 . . . . 11.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.79 -44.44 98.0 Favored Glycine 0 N--CA 1.476 1.361 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . . . -60.69 -44.48 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.591 -0.946 . . . . 9.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . . . -60.73 -44.42 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 CA-C-O 121.951 0.882 . . . . 19.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . . . -60.79 -44.43 96.84 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.885 0.85 . . . . 10.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . . . -60.72 -44.46 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-O 121.87 0.843 . . . . 11.0 109.284 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . . . -60.76 -44.46 96.69 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.876 0.846 . . . . 17.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . . . -60.7 -44.46 96.55 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.852 0.834 . . . . 30.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . . . -60.79 -44.41 96.85 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.918 0.866 . . . . 29.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . . . -60.74 -44.47 96.63 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-O 121.94 0.876 . . . . 8.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . . . -60.73 -44.5 96.57 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 121.885 0.85 . . . . 19.0 109.259 -179.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.75 -44.4 98.0 Favored Glycine 0 N--CA 1.476 1.35 0 N-CA-C 109.305 -1.518 . . . . 41.0 109.305 -179.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . . . -60.94 -43.72 98.26 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 121.52 -0.988 . . . . 35.0 109.469 179.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . . . -62.82 -39.31 93.92 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 121.865 0.84 . . . . 19.0 110.271 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.372 0 N-CA-C 110.386 -1.085 . . . . 29.0 110.386 179.979 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.445 0 CA-C-O 121.914 0.864 . . . . 16.0 110.331 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . . . -56.23 -46.46 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-O 121.937 0.875 . . . . 28.0 109.832 -179.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . . . -58.94 -46.04 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 CA-C-O 121.922 0.868 . . . . 42.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -59.55 -43.86 97.25 Favored Glycine 0 N--CA 1.476 1.354 0 N-CA-C 109.789 -1.324 . . . . 16.0 109.789 -179.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . . . -62.25 -41.49 98.48 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 121.501 -0.999 . . . . 17.0 109.793 -179.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . . . -64.17 -41.9 96.95 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.879 0.847 . . . . 48.0 109.183 -179.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . . . -63.29 -42.72 99.11 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 121.92 0.867 . . . . 19.0 109.174 -179.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . . . -62.57 -42.79 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-O 121.905 0.86 . . . . 10.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' CYS . . . . . . . . . . . . . . . -62.52 -42.87 99.8 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 121.925 0.869 . . . . 24.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.77 99.73 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 121.922 0.868 . . . . 30.0 109.364 179.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -62.62 -42.8 99.65 Favored Glycine 0 N--CA 1.476 1.327 0 N-CA-C 109.329 -1.508 . . . . 6.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . . . -62.53 -42.84 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 121.522 -0.987 . . . . 11.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . . . -62.54 -42.83 99.78 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.871 0.844 . . . . 22.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . . . -62.54 -42.87 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-O 121.91 0.862 . . . . 17.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ILE . . . . . . . . . . . . . . . -62.46 -42.83 97.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-O 121.934 0.873 . . . . 9.0 109.348 -179.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . . . -62.38 -43.56 98.54 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 121.945 0.879 . . . . 9.0 109.181 -179.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . . . -62.82 -39.28 93.81 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 121.9 0.857 . . . . 33.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.139 0 CA-C-O 122.328 1.061 . . . . 26.0 110.356 179.988 . . . . . . . . 0 0 . 1 stop_ save_