data_5hoy_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 5hoy _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 97.9 mt -85.7 141.92 29.39 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-N 115.028 -0.987 . . . . 61.17 108.977 178.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.4 t -124.3 108.43 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 118.478 -1.289 . . . . 68.17 108.736 179.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -92.62 148.73 21.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.383 0.611 . . . . 64.2 109.597 174.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -114.13 141.8 47.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.572 -0.74 . . . . 78.63 109.816 -178.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -150.77 151.22 32.03 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.839 -0.8 . . . . 60.96 108.839 179.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -83.55 122.71 28.92 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.68 -0.859 . . . . 69.98 108.68 171.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -92.0 95.27 9.7 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 106.759 -1.571 . . . . 68.8 106.759 175.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.9 m -92.17 148.7 21.96 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.742 0.782 . . . . 74.57 111.188 -173.777 -74.954 -65.078 101.054 104.227 2.031 104.261 -113.833 -50.898 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -121.79 -165.04 12.44 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 114.989 -1.005 . . . . 90.77 111.427 176.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.2 p -57.07 -20.66 26.31 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.525 -0.47 . . . . 124.42 112.098 179.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -139.97 -48.67 0.46 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-N 118.219 0.463 . . . . 167.9 112.101 -177.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.58 161.89 14.65 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.758 0.789 . . . . 123.0 111.381 -171.144 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.2 m -130.53 160.19 34.88 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 114.955 -1.021 . . . . 86.68 109.294 176.06 -50.898 -113.833 101.054 104.261 2.031 104.227 -65.078 -74.954 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.94 143.65 29.66 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.556 -0.747 . . . . 62.29 109.255 178.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 47.3 mm -75.36 131.7 34.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 N-CA-C 109.104 -0.702 . . . . 76.64 109.104 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.5 pt -132.26 157.82 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.418 -0.355 . . . . 64.1 110.5 177.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.7 mt -122.16 109.04 14.02 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.16 -1.052 . . . . 60.92 108.16 173.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.6 ttp -98.3 133.2 43.04 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.952 -0.567 . . . . 90.79 110.28 -169.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.329 -0.291 0 N-CA-C 108.244 -1.021 . . . . 65.35 108.244 171.416 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 67.4 mt -98.11 144.36 27.68 Favored 'General case' 0 C--N 1.371 1.524 0 CA-C-N 114.797 -1.092 . . . . 58.89 108.92 179.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 58.7 t -123.58 107.43 18.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 118.185 -1.406 . . . . 66.96 108.055 178.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -87.85 162.84 16.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.622 0.725 . . . . 61.75 109.782 173.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -129.79 143.61 50.9 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.561 -0.745 . . . . 89.86 110.15 -176.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.81 151.57 36.21 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.805 -0.813 . . . . 63.08 108.805 178.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -91.9 112.11 23.92 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 107.872 -1.158 . . . . 90.7 107.872 174.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -91.47 108.97 20.27 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 108.453 -0.943 . . . . 85.17 108.453 179.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 92.8 m -107.89 138.43 44.15 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 122.836 0.454 . . . . 106.33 110.125 -178.236 -66.401 -78.449 111.333 104.259 2.031 104.892 -101.292 -55.933 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -116.24 -106.07 2.48 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.892 -0.595 . . . . 132.31 111.651 175.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 80.7 p -103.52 81.39 1.91 Allowed 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 107.965 -1.124 . . . . 190.64 107.965 177.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 65.49 5.92 3.48 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.673 1.189 . . . . 206.76 113.035 -178.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.13 121.55 45.6 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 108.353 -0.98 . . . . 167.22 108.353 176.52 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 60.8 m -123.26 147.65 46.72 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 121.182 0.515 . . . . 121.75 109.638 178.995 -55.933 -101.292 111.333 104.892 2.031 104.259 -78.449 -66.401 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -152.39 131.5 12.69 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 108.669 -0.863 . . . . 88.64 108.669 178.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 97.8 mt -67.04 138.77 22.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 N-CA-C 109.328 -0.619 . . . . 90.8 109.328 178.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 27.2 pt -132.68 161.06 42.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 74.28 110.042 -179.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 83.9 mt -129.51 109.03 10.71 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.997 -0.742 . . . . 66.89 108.997 175.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 39.2 ttp -95.74 135.17 37.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 89.05 111.005 -168.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 44.2 t . . . . . 0 C--N 1.328 -0.327 0 N-CA-C 108.5 -0.926 . . . . 71.9 108.5 174.004 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 84.9 mt -100.57 143.84 30.27 Favored 'General case' 0 C--N 1.371 1.525 0 CA-C-N 115.055 -0.975 . . . . 64.73 108.571 178.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 85.9 t -122.18 105.73 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 107.31 -1.367 . . . . 71.43 107.31 178.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -85.14 148.34 26.17 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.659 0.743 . . . . 68.44 110.278 179.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -99.66 131.34 45.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.658 -0.701 . . . . 64.63 109.768 -175.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -153.05 158.63 42.23 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.027 -0.731 . . . . 58.15 109.027 179.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' GLU . . . . . 0.418 ' HG2' HD13 ' C' ' 16' ' ' ILE . 32.5 mt-10 -110.88 129.98 55.71 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.265 -0.88 . . . . 61.92 109.427 174.53 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -95.38 107.56 19.71 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 107.459 -1.311 . . . . 69.04 107.459 175.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' CYS . . . . . . . . . . . . . 81.2 m -108.2 158.38 17.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.724 0.773 . . . . 73.9 110.514 -174.448 -60.263 -83.605 105.969 104.581 2.035 104.245 -98.56 -54.449 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.15 125.74 0.8 Allowed Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.065 -0.97 . . . . 105.25 111.933 -179.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 20.9 m 65.48 36.76 6.49 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.05 0.452 . . . . 137.53 111.167 -179.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 61.11 51.22 4.51 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.747 0.784 . . . . 161.37 110.902 178.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.56 114.14 0.86 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.652 -0.704 . . . . 136.79 110.256 178.317 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' CYS . . . . . . . . . . . . . 57.7 m -107.91 161.74 14.65 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 121.593 0.711 . . . . 74.05 110.57 -174.942 -54.449 -98.56 105.969 104.245 2.035 104.581 -83.605 -60.263 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -146.5 132.55 19.27 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.165 -0.925 . . . . 62.8 109.108 178.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' ILE . . . . . 0.418 HD13 ' HG2' ' C' ' 7' ' ' GLU . 10.1 mm -62.34 135.45 26.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 N-CA-C 108.946 -0.761 . . . . 68.51 108.946 176.619 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 42.1 pt -135.92 154.61 34.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 108.752 -0.832 . . . . 68.31 108.752 173.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 81.1 mt -129.26 109.3 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 107.784 -1.191 . . . . 66.64 107.784 172.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 48.7 ttp -94.46 146.39 24.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.525 0.679 . . . . 87.94 111.103 -168.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 42.0 t . . . . . 0 C--N 1.329 -0.29 0 N-CA-C 108.128 -1.064 . . . . 71.65 108.128 172.026 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 95.3 mt -92.73 140.18 29.79 Favored 'General case' 0 C--N 1.371 1.543 0 CA-C-N 115.028 -0.987 . . . . 67.79 109.665 178.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -120.16 109.96 27.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 107.227 -1.397 . . . . 61.57 107.227 178.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -89.88 154.01 20.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.393 0.616 . . . . 58.26 109.605 174.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -119.76 136.48 54.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.611 -0.722 . . . . 86.05 109.823 -176.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' ALA . . . . . . . . . . . . . . . -144.37 147.84 33.93 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.738 -0.838 . . . . 59.06 108.738 179.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -84.26 110.29 18.44 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.33 -1.359 . . . . 85.07 107.33 172.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -83.44 98.87 9.74 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 107.904 -1.147 . . . . 76.65 107.904 -179.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' CYS . . . . . . . . . . . . . 99.4 m -99.72 -0.41 40.13 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.514 0.561 . . . . 135.82 112.514 176.999 -69.46 -73.901 118.974 104.418 2.033 105.662 -98.422 -66.786 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.23 -41.27 78.54 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.204 -0.998 . . . . 147.59 111.997 172.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 68.4 p -67.35 154.45 41.3 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.312 0.577 . . . . 179.47 109.782 169.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -46.87 -51.23 17.16 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.73 -0.668 . . . . 211.38 110.766 177.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.5 152.37 32.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.396 0.617 . . . . 178.54 110.119 172.78 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' CYS . . . . . . . . . . . . . 89.7 m -96.38 138.29 34.19 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.412 -0.959 . . . . 129.17 108.412 168.051 -66.786 -98.422 118.974 105.662 2.033 104.418 -73.901 -69.46 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -150.98 138.72 19.78 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.581 -0.526 . . . . 81.73 109.581 -177.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 30.1 mm -68.48 129.65 33.15 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 N-CA-C 108.974 -0.75 . . . . 98.99 108.974 174.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 31.4 pt -131.54 157.47 43.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.446 -0.343 . . . . 70.21 110.409 176.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 42.2 mt -128.01 105.38 8.36 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.635 -0.876 . . . . 68.12 108.635 176.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 18.2 ttt -94.09 129.94 40.45 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.737 -0.665 . . . . 85.27 110.295 -169.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 1.7 p . . . . . 0 C--N 1.328 -0.368 0 N-CA-C 108.635 -0.876 . . . . 74.0 108.635 174.57 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 88.5 mt -91.61 135.54 33.8 Favored 'General case' 0 C--N 1.372 1.561 0 CA-C-N 115.446 -0.797 . . . . 78.64 109.449 179.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 45.1 t -110.91 100.53 10.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 118.053 -1.459 . . . . 75.93 109.342 179.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -80.86 155.21 26.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.48 0.657 . . . . 66.79 110.001 174.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 5' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -121.28 141.71 50.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.616 -0.72 . . . . 74.82 109.838 -177.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.86 156.4 42.66 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.926 -0.768 . . . . 57.45 108.926 179.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 7' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -95.55 111.37 23.3 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 107.602 -1.259 . . . . 85.67 107.602 175.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 8' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -96.92 98.96 10.53 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.082 -1.081 . . . . 72.48 108.082 -176.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 9' ' ' CYS . . . . . . . . . . . . . 63.5 m -96.12 102.3 14.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.022 -1.103 . . . . 94.14 108.022 -178.531 -73.37 -69.147 106.592 103.931 2.03 104.891 -108.636 -54.678 1 1 . 1 . 001 ecloud orig full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -84.68 -117.33 0.77 Allowed Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.753 -0.539 . . . . 120.65 111.753 177.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 76.0 p -119.52 -38.78 2.95 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.191 0.811 . . . . 160.8 113.191 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -96.08 -12.25 25.12 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 113.085 0.772 . . . . 169.63 113.085 179.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -177.16 153.87 1.0 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-N 118.514 0.597 . . . . 134.93 112.078 -173.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 14' ' ' CYS . . . . . . . . . . . . . 58.2 m -96.87 167.52 11.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.783 0.802 . . . . 123.88 109.23 165.65 -54.678 -108.636 106.592 104.891 2.03 103.931 -69.147 -73.37 1 1 . 1 . 001 ecloud orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -170.81 131.48 0.85 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.558 -0.746 . . . . 90.88 110.971 -179.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 16' ' ' ILE . . . . . . . . . . . . . 39.4 mm -67.02 119.59 12.85 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 N-CA-C 108.462 -0.94 . . . . 83.25 108.462 176.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 17' ' ' ILE . . . . . . . . . . . . . 18.0 pt -116.96 163.47 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.923 -0.399 . . . . 71.36 109.923 -177.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 70.7 mt -138.87 96.3 3.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 107.996 -1.113 . . . . 77.52 107.996 174.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 13.3 ptp -93.96 140.65 29.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.225 0.536 . . . . 103.4 110.978 -172.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 107.329 -1.36 . . . . 83.15 107.329 175.006 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 1' ' ' ORN . . . . . 0.432 ' HB3' ' C ' ' F' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 81.5 mt -86.61 146.01 26.5 Favored 'General case' 0 C--N 1.371 1.514 0 CA-C-N 115.174 -0.921 . . . . 68.25 109.309 179.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 46.8 t -125.25 106.94 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 118.795 -1.162 . . . . 74.11 108.597 179.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -88.0 162.24 16.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.619 0.723 . . . . 66.2 109.806 174.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 5' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -126.22 140.47 52.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.484 -0.78 . . . . 76.48 109.724 -174.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.16 157.0 43.81 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.969 -0.752 . . . . 63.93 108.969 -179.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -97.12 106.86 19.27 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.751 -1.203 . . . . 99.89 107.751 176.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 8' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -88.69 112.96 23.75 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 108.574 -0.898 . . . . 86.25 108.574 -177.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 9' ' ' CYS . . . . . . . . . . . . . 77.0 m -104.82 147.25 27.92 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.517 0.675 . . . . 143.9 111.064 -174.672 -63.669 -78.272 105.558 104.468 2.034 105.147 -97.653 -48.695 1 1 . 1 . 001 ecloud orig full ' F' F ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.36 107.89 0.34 Allowed Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.262 -0.881 . . . . 169.05 110.935 177.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m 55.19 30.17 14.04 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.011 0.434 . . . . 203.43 111.046 -170.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 12' ' ' ASN . . . . . . . . . . . . . 32.0 t30 67.86 43.39 1.74 Allowed 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.363 0.665 . . . . 214.08 111.363 -177.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -119.92 66.09 0.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 107.378 -1.341 . . . . 188.38 107.378 169.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 14' ' ' CYS . . . . . . . . . . . . . 23.6 m -75.61 157.83 33.25 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.957 0.884 . . . . 129.25 110.75 -174.48 -48.695 -97.653 105.558 105.147 2.034 104.468 -78.272 -63.669 1 1 . 1 . 001 ecloud orig full ' F' F ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.78 151.94 9.42 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 108.454 -0.943 . . . . 89.84 108.454 179.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 16' ' ' ILE . . . . . . . . . . . . . 46.5 mm -78.33 134.37 28.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 N-CA-C 109.061 -0.718 . . . . 80.97 109.061 -177.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 17' ' ' ILE . . . . . . . . . . . . . 39.8 pt -133.22 161.58 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.988 -0.375 . . . . 69.78 109.988 177.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 19' ' ' LEU . . . . . . . . . . . . . 60.3 mt -128.96 106.91 9.21 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.703 -0.851 . . . . 76.4 108.703 176.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 20' ' ' MET . . . . . . . . . . . . . 2.9 ttt -92.15 142.16 27.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.904 -0.589 . . . . 85.7 110.762 -170.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 21' ' ' VAL . . . . . 0.432 ' C ' ' HB3' ' F' ' 1' ' ' ORN . 94.0 t . . . . . 0 C--N 1.328 -0.339 0 N-CA-C 108.368 -0.975 . . . . 78.19 108.368 174.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 101' ' ' JEF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 97.9 mt -85.7 141.92 29.39 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-N 115.028 -0.987 . . . . 50.969999999999999 108.977 178.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.4 t -124.3 108.43 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 118.478 -1.289 . . . . 56.799999999999997 108.736 179.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -92.62 148.73 21.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.383 0.611 . . . . 58.909999999999997 109.597 174.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -114.13 141.8 47.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.572 -0.74 . . . . 65.519999999999996 109.816 -178.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -150.77 151.22 32.03 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.839 -0.8 . . . . 51.560000000000002 108.839 179.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -83.55 122.71 28.92 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.68 -0.859 . . . . 67.909999999999997 108.68 171.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -92.0 95.27 9.7 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 106.759 -1.571 . . . . 61.810000000000002 106.759 175.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.9 m -92.17 148.7 21.96 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.742 0.782 . . . . 66.709999999999994 111.188 -173.777 -74.954 -65.078 101.054 104.227 2.031 104.261 -113.833 -50.898 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -121.79 -165.04 12.44 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 114.989 -1.005 . . . . 80.829999999999998 111.427 176.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.2 p -57.07 -20.66 26.31 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.525 -0.47 . . . . 117.19 112.098 179.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -139.97 -48.67 0.46 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-N 118.219 0.463 . . . . 139.91999999999999 112.101 -177.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.58 161.89 14.65 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.758 0.789 . . . . 102.5 111.381 -171.144 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.2 m -130.53 160.19 34.88 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 114.955 -1.021 . . . . 72.230000000000004 109.294 176.06 -50.898 -113.833 101.054 104.261 2.031 104.227 -65.078 -74.954 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.94 143.65 29.66 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.556 -0.747 . . . . 51.909999999999997 109.255 178.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 47.3 mm -75.36 131.7 34.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 N-CA-C 109.104 -0.702 . . . . 63.869999999999997 109.104 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.5 pt -132.26 157.82 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.418 -0.355 . . . . 53.409999999999997 110.5 177.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.7 mt -122.16 109.04 14.02 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.16 -1.052 . . . . 50.759999999999998 108.16 173.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.6 ttp -98.3 133.2 43.04 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.952 -0.567 . . . . 75.659999999999997 110.28 -169.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.329 -0.291 0 N-CA-C 108.244 -1.021 . . . . 54.460000000000001 108.244 171.416 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 67.4 mt -98.11 144.36 27.68 Favored 'General case' 0 C--N 1.371 1.524 0 CA-C-N 114.797 -1.092 . . . . 49.07 108.92 179.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 58.7 t -123.58 107.43 18.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 118.185 -1.406 . . . . 55.799999999999997 108.055 178.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -87.85 162.84 16.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.622 0.725 . . . . 58.109999999999999 109.782 173.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -129.79 143.61 50.9 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.561 -0.745 . . . . 74.879999999999995 110.15 -176.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.81 151.57 36.21 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.805 -0.813 . . . . 62.020000000000003 108.805 178.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -91.9 112.11 23.92 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 107.872 -1.158 . . . . 89.469999999999999 107.872 174.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -91.47 108.97 20.27 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 108.453 -0.943 . . . . 80.170000000000002 108.453 179.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 92.8 m -107.89 138.43 44.15 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 122.836 0.454 . . . . 91.129999999999995 110.125 -178.236 -66.401 -78.449 111.333 104.259 2.031 104.892 -101.292 -55.933 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -116.24 -106.07 2.48 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.892 -0.595 . . . . 126.53 111.651 175.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 80.7 p -103.52 81.39 1.91 Allowed 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 107.965 -1.124 . . . . 166.53999999999999 107.965 177.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 65.49 5.92 3.48 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.673 1.189 . . . . 175.03999999999999 113.035 -178.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.13 121.55 45.6 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 108.353 -0.98 . . . . 139.34999999999999 108.353 176.52 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 60.8 m -123.26 147.65 46.72 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 121.182 0.515 . . . . 101.45999999999999 109.638 178.995 -55.933 -101.292 111.333 104.892 2.031 104.259 -78.449 -66.401 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -152.39 131.5 12.69 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 108.669 -0.863 . . . . 73.870000000000005 108.669 178.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 97.8 mt -67.04 138.77 22.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 N-CA-C 109.328 -0.619 . . . . 75.659999999999997 109.328 178.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 27.2 pt -132.68 161.06 42.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 61.899999999999999 110.042 -179.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 83.9 mt -129.51 109.03 10.71 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.997 -0.742 . . . . 55.740000000000002 108.997 175.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 39.2 ttp -95.74 135.17 37.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 74.209999999999994 111.005 -168.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 44.2 t . . . . . 0 C--N 1.328 -0.327 0 N-CA-C 108.5 -0.926 . . . . 59.920000000000002 108.5 174.004 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 84.9 mt -100.57 143.84 30.27 Favored 'General case' 0 C--N 1.371 1.525 0 CA-C-N 115.055 -0.975 . . . . 53.939999999999998 108.571 178.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 85.9 t -122.18 105.73 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 107.31 -1.367 . . . . 59.530000000000001 107.31 178.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -85.14 148.34 26.17 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.659 0.743 . . . . 57.030000000000001 110.278 179.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -99.66 131.34 45.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.658 -0.701 . . . . 58.899999999999999 109.768 -175.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -153.05 158.63 42.23 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.027 -0.731 . . . . 53.100000000000001 109.027 179.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' GLU . . . . . 0.423 ' HG2' HD13 ' C' ' 16' ' ' ILE . 32.5 mt-10 -110.88 129.98 55.71 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.265 -0.88 . . . . 51.909999999999997 109.427 174.53 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -95.38 107.56 19.71 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 107.459 -1.311 . . . . 69.040000000000006 107.459 175.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' CYS . . . . . . . . . . . . . 81.2 m -108.2 158.38 17.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.724 0.773 . . . . 73.900000000000006 110.514 -174.448 -60.263 -83.605 105.969 104.581 2.035 104.245 -98.56 -54.449 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.15 125.74 0.8 Allowed Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.065 -0.97 . . . . 97.599999999999994 111.933 -179.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 20.9 m 65.48 36.76 6.49 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.05 0.452 . . . . 115.59999999999999 111.167 -179.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 61.11 51.22 4.51 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.747 0.784 . . . . 134.47999999999999 110.902 178.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.56 114.14 0.86 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.652 -0.704 . . . . 113.98999999999999 110.256 178.317 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 14' ' ' CYS . . . . . . . . . . . . . 57.7 m -107.91 161.74 14.65 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 121.593 0.711 . . . . 61.710000000000001 110.57 -174.942 -54.449 -98.56 105.969 104.245 2.035 104.581 -83.605 -60.263 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -146.5 132.55 19.27 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.165 -0.925 . . . . 52.579999999999998 109.108 178.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' ILE . . . . . 0.423 HD13 ' HG2' ' C' ' 7' ' ' GLU . 10.1 mm -62.34 135.45 26.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 N-CA-C 108.946 -0.761 . . . . 57.090000000000003 108.946 176.619 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 42.1 pt -135.92 154.61 34.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 108.752 -0.832 . . . . 56.93 108.752 173.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 81.1 mt -129.26 109.3 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 107.784 -1.191 . . . . 55.560000000000002 107.784 172.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 48.7 ttp -94.46 146.39 24.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.525 0.679 . . . . 73.280000000000001 111.103 -168.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 42.0 t . . . . . 0 C--N 1.329 -0.29 0 N-CA-C 108.128 -1.064 . . . . 60.359999999999999 108.128 172.026 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 95.3 mt -92.73 140.18 29.79 Favored 'General case' 0 C--N 1.371 1.543 0 CA-C-N 115.028 -0.987 . . . . 56.490000000000002 109.665 178.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -120.16 109.96 27.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 107.227 -1.397 . . . . 51.310000000000002 107.227 178.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -89.88 154.01 20.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.393 0.616 . . . . 50.969999999999999 109.605 174.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -119.76 136.48 54.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.611 -0.722 . . . . 71.709999999999994 109.823 -176.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' ALA . . . . . . . . . . . . . . . -144.37 147.84 33.93 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.738 -0.838 . . . . 49.219999999999999 108.738 179.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -84.26 110.29 18.44 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.33 -1.359 . . . . 82.030000000000001 107.33 172.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -83.44 98.87 9.74 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 107.904 -1.147 . . . . 70.629999999999995 107.904 -179.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 9' ' ' CYS . . . . . . . . . . . . . 99.4 m -99.72 -0.41 40.13 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.514 0.561 . . . . 118.98999999999999 112.514 176.999 -69.46 -73.901 118.974 104.418 2.033 105.662 -98.422 -66.786 1 1 . 1 . 001 ecloud build full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.23 -41.27 78.54 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.204 -0.998 . . . . 128.44 111.997 172.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 68.4 p -67.35 154.45 41.3 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.312 0.577 . . . . 158.40000000000001 109.782 169.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 12' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -46.87 -51.23 17.16 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.73 -0.668 . . . . 176.15000000000001 110.766 177.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.5 152.37 32.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.396 0.617 . . . . 148.78 110.119 172.78 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 14' ' ' CYS . . . . . . . . . . . . . 89.7 m -96.38 138.29 34.19 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.412 -0.959 . . . . 110.59999999999999 108.412 168.051 -66.786 -98.422 118.974 105.662 2.033 104.418 -73.901 -69.46 1 1 . 1 . 001 ecloud build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -150.98 138.72 19.78 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.581 -0.526 . . . . 74.900000000000006 109.581 -177.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 30.1 mm -68.48 129.65 33.15 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 N-CA-C 108.974 -0.75 . . . . 82.489999999999995 108.974 174.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 31.4 pt -131.54 157.47 43.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.446 -0.343 . . . . 58.509999999999998 110.409 176.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 42.2 mt -128.01 105.38 8.36 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.635 -0.876 . . . . 56.759999999999998 108.635 176.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 18.2 ttt -94.09 129.94 40.45 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.737 -0.665 . . . . 72.040000000000006 110.295 -169.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 1.7 p . . . . . 0 C--N 1.328 -0.368 0 N-CA-C 108.635 -0.876 . . . . 61.670000000000002 108.635 174.57 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 88.5 mt -91.61 135.54 33.8 Favored 'General case' 0 C--N 1.372 1.561 0 CA-C-N 115.446 -0.797 . . . . 70.310000000000002 109.449 179.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 45.1 t -110.91 100.53 10.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 118.053 -1.459 . . . . 63.270000000000003 109.342 179.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -80.86 155.21 26.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.48 0.657 . . . . 60.899999999999999 110.001 174.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 5' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -121.28 141.71 50.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.616 -0.72 . . . . 62.350000000000001 109.838 -177.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.86 156.4 42.66 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.926 -0.768 . . . . 51.200000000000003 108.926 179.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 7' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -95.55 111.37 23.3 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 107.602 -1.259 . . . . 85.670000000000002 107.602 175.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 8' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -96.92 98.96 10.53 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.082 -1.081 . . . . 72.480000000000004 108.082 -176.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 9' ' ' CYS . . . . . . . . . . . . . 63.5 m -96.12 102.3 14.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.022 -1.103 . . . . 88.719999999999999 108.022 -178.531 -73.37 -69.147 106.592 103.931 2.03 104.891 -108.636 -54.678 1 1 . 1 . 001 ecloud build full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -84.68 -117.33 0.77 Allowed Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.753 -0.539 . . . . 111.73999999999999 111.753 177.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 76.0 p -119.52 -38.78 2.95 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.191 0.811 . . . . 134.81 113.191 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -96.08 -12.25 25.12 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 113.085 0.772 . . . . 141.36000000000001 113.085 179.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -177.16 153.87 1.0 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-N 118.514 0.597 . . . . 112.45 112.078 -173.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 14' ' ' CYS . . . . . . . . . . . . . 58.2 m -96.87 167.52 11.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.783 0.802 . . . . 103.23 109.23 165.65 -54.678 -108.636 106.592 104.891 2.03 103.931 -69.147 -73.37 1 1 . 1 . 001 ecloud build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -170.81 131.48 0.85 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.558 -0.746 . . . . 75.730000000000004 110.971 -179.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 16' ' ' ILE . . . . . . . . . . . . . 39.4 mm -67.02 119.59 12.85 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 N-CA-C 108.462 -0.94 . . . . 69.730000000000004 108.462 176.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 17' ' ' ILE . . . . . . . . . . . . . 18.0 pt -116.96 163.47 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.923 -0.399 . . . . 59.469999999999999 109.923 -177.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 70.7 mt -138.87 96.3 3.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 107.996 -1.113 . . . . 64.599999999999994 107.996 174.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 13.3 ptp -93.96 140.65 29.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.225 0.536 . . . . 90.299999999999997 110.978 -172.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 107.329 -1.36 . . . . 69.290000000000006 107.329 175.006 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 81.5 mt -86.61 146.01 26.5 Favored 'General case' 0 C--N 1.371 1.514 0 CA-C-N 115.174 -0.921 . . . . 60.240000000000002 109.309 179.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 46.8 t -125.25 106.94 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 118.795 -1.162 . . . . 61.759999999999998 108.597 179.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -88.0 162.24 16.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.619 0.723 . . . . 55.170000000000002 109.806 174.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 5' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -126.22 140.47 52.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.484 -0.78 . . . . 63.740000000000002 109.724 -174.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.16 157.0 43.81 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.969 -0.752 . . . . 56.07 108.969 -179.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -97.12 106.86 19.27 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.751 -1.203 . . . . 96.010000000000005 107.751 176.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 8' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -88.69 112.96 23.75 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 108.574 -0.898 . . . . 82.879999999999995 108.574 -177.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 9' ' ' CYS . . . . . . . . . . . . . 77.0 m -104.82 147.25 27.92 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.517 0.675 . . . . 121.22 111.064 -174.672 -63.669 -78.272 105.558 104.468 2.034 105.147 -97.653 -48.695 1 1 . 1 . 001 ecloud build full ' F' F ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.36 107.89 0.34 Allowed Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.262 -0.881 . . . . 155.69999999999999 110.935 177.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m 55.19 30.17 14.04 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.011 0.434 . . . . 171.75999999999999 111.046 -170.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 12' ' ' ASN . . . . . . . . . . . . . 32.0 t30 67.86 43.39 1.74 Allowed 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.363 0.665 . . . . 179.72999999999999 111.363 -177.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -119.92 66.09 0.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 107.378 -1.341 . . . . 156.97999999999999 107.378 169.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 14' ' ' CYS . . . . . . . . . . . . . 23.6 m -75.61 157.83 33.25 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.957 0.884 . . . . 107.70999999999999 110.75 -174.48 -48.695 -97.653 105.558 105.147 2.034 104.468 -78.272 -63.669 1 1 . 1 . 001 ecloud build full ' F' F ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.78 151.94 9.42 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 108.454 -0.943 . . . . 74.859999999999999 108.454 179.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 16' ' ' ILE . . . . . . . . . . . . . 46.5 mm -78.33 134.37 28.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 N-CA-C 109.061 -0.718 . . . . 67.480000000000004 109.061 -177.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 17' ' ' ILE . . . . . . . . . . . . . 39.8 pt -133.22 161.58 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.988 -0.375 . . . . 58.149999999999999 109.988 177.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 19' ' ' LEU . . . . . . . . . . . . . 60.3 mt -128.96 106.91 9.21 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.703 -0.851 . . . . 63.670000000000002 108.703 176.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 20' ' ' MET . . . . . . . . . . . . . 2.9 ttt -92.15 142.16 27.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.904 -0.589 . . . . 75.019999999999996 110.762 -170.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 94.0 t . . . . . 0 C--N 1.328 -0.339 0 N-CA-C 108.368 -0.975 . . . . 65.159999999999997 108.368 174.278 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 101' ' ' JEF . . . . . 0.573 H121 ' H13' ' D' ' 101' ' ' JEF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 97.9 mt -85.7 141.92 29.39 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-N 115.028 -0.987 . . . . 50.969999999999999 108.977 178.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.4 t -124.3 108.43 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 118.478 -1.289 . . . . 56.799999999999997 108.736 179.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -92.62 148.73 21.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.383 0.611 . . . . 58.909999999999997 109.597 174.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -114.13 141.8 47.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.572 -0.74 . . . . 65.519999999999996 109.816 -178.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -150.77 151.22 32.03 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.839 -0.8 . . . . 51.560000000000002 108.839 179.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -83.55 122.71 28.92 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.68 -0.859 . . . . 67.909999999999997 108.68 171.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -92.0 95.27 9.7 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 106.759 -1.571 . . . . 61.810000000000002 106.759 175.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.9 m -92.17 148.7 21.96 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.742 0.782 . . . . 66.709999999999994 111.188 -173.777 -74.954 -65.078 101.054 104.227 2.031 104.261 -113.833 -50.898 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -121.79 -165.04 12.44 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 114.989 -1.005 . . . . 80.829999999999998 111.427 176.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.2 p -57.07 -20.66 26.31 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.525 -0.47 . . . . 117.19 112.098 179.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -139.97 -48.67 0.46 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-N 118.219 0.463 . . . . 139.91999999999999 112.101 -177.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.58 161.89 14.65 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.758 0.789 . . . . 102.5 111.381 -171.144 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.2 m -130.53 160.19 34.88 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 114.955 -1.021 . . . . 72.230000000000004 109.294 176.06 -50.898 -113.833 101.054 104.261 2.031 104.227 -65.078 -74.954 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.94 143.65 29.66 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.556 -0.747 . . . . 51.909999999999997 109.255 178.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 47.3 mm -75.36 131.7 34.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 N-CA-C 109.104 -0.702 . . . . 63.869999999999997 109.104 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.5 pt -132.26 157.82 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.418 -0.355 . . . . 53.409999999999997 110.5 177.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.7 mt -122.16 109.04 14.02 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.16 -1.052 . . . . 50.759999999999998 108.16 173.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.6 ttp -98.3 133.2 43.04 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.952 -0.567 . . . . 75.659999999999997 110.28 -169.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.329 -0.291 0 N-CA-C 108.244 -1.021 . . . . 54.460000000000001 108.244 171.416 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 67.4 mt -98.11 144.36 27.68 Favored 'General case' 0 C--N 1.371 1.524 0 CA-C-N 114.797 -1.092 . . . . 49.07 108.92 179.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 58.7 t -123.58 107.43 18.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 118.185 -1.406 . . . . 55.799999999999997 108.055 178.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -87.85 162.84 16.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.622 0.725 . . . . 58.109999999999999 109.782 173.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -129.79 143.61 50.9 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.561 -0.745 . . . . 74.879999999999995 110.15 -176.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.81 151.57 36.21 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.805 -0.813 . . . . 62.020000000000003 108.805 178.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -91.9 112.11 23.92 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 107.872 -1.158 . . . . 89.469999999999999 107.872 174.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -91.47 108.97 20.27 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 108.453 -0.943 . . . . 80.170000000000002 108.453 179.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 92.8 m -107.89 138.43 44.15 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 122.836 0.454 . . . . 91.129999999999995 110.125 -178.236 -66.401 -78.449 111.333 104.259 2.031 104.892 -101.292 -55.933 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -116.24 -106.07 2.48 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.892 -0.595 . . . . 126.53 111.651 175.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 80.7 p -103.52 81.39 1.91 Allowed 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 107.965 -1.124 . . . . 166.53999999999999 107.965 177.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 65.49 5.92 3.48 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.673 1.189 . . . . 175.03999999999999 113.035 -178.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.13 121.55 45.6 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 108.353 -0.98 . . . . 139.34999999999999 108.353 176.52 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 60.8 m -123.26 147.65 46.72 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 121.182 0.515 . . . . 101.45999999999999 109.638 178.995 -55.933 -101.292 111.333 104.892 2.031 104.259 -78.449 -66.401 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -152.39 131.5 12.69 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 108.669 -0.863 . . . . 73.870000000000005 108.669 178.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 97.8 mt -67.04 138.77 22.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 N-CA-C 109.328 -0.619 . . . . 75.659999999999997 109.328 178.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 27.2 pt -132.68 161.06 42.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 61.899999999999999 110.042 -179.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 83.9 mt -129.51 109.03 10.71 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.997 -0.742 . . . . 55.740000000000002 108.997 175.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 39.2 ttp -95.74 135.17 37.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 74.209999999999994 111.005 -168.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 44.2 t . . . . . 0 C--N 1.328 -0.327 0 N-CA-C 108.5 -0.926 . . . . 59.920000000000002 108.5 174.004 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 84.9 mt -100.57 143.84 30.27 Favored 'General case' 0 C--N 1.371 1.525 0 CA-C-N 115.055 -0.975 . . . . 53.939999999999998 108.571 178.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 85.9 t -122.18 105.73 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 107.31 -1.367 . . . . 59.530000000000001 107.31 178.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -85.14 148.34 26.17 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.659 0.743 . . . . 57.030000000000001 110.278 179.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -99.66 131.34 45.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.658 -0.701 . . . . 58.899999999999999 109.768 -175.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -153.05 158.63 42.23 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.027 -0.731 . . . . 53.100000000000001 109.027 179.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' GLU . . . . . 0.423 ' HG2' HD13 ' C' ' 16' ' ' ILE . 32.5 mt-10 -110.88 129.98 55.71 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.265 -0.88 . . . . 51.909999999999997 109.427 174.53 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -95.38 107.56 19.71 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 107.459 -1.311 . . . . 69.040000000000006 107.459 175.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' CYS . . . . . . . . . . . . . 81.2 m -108.2 158.38 17.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.724 0.773 . . . . 73.900000000000006 110.514 -174.448 -60.263 -83.605 105.969 104.581 2.035 104.245 -98.56 -54.449 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.15 125.74 0.8 Allowed Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.065 -0.97 . . . . 97.599999999999994 111.933 -179.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 20.9 m 65.48 36.76 6.49 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.05 0.452 . . . . 115.59999999999999 111.167 -179.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 61.11 51.22 4.51 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.747 0.784 . . . . 134.47999999999999 110.902 178.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.56 114.14 0.86 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.652 -0.704 . . . . 113.98999999999999 110.256 178.317 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' CYS . . . . . . . . . . . . . 57.7 m -107.91 161.74 14.65 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 121.593 0.711 . . . . 61.710000000000001 110.57 -174.942 -54.449 -98.56 105.969 104.245 2.035 104.581 -83.605 -60.263 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -146.5 132.55 19.27 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.165 -0.925 . . . . 52.579999999999998 109.108 178.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' ILE . . . . . 0.423 HD13 ' HG2' ' C' ' 7' ' ' GLU . 10.1 mm -62.34 135.45 26.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 N-CA-C 108.946 -0.761 . . . . 57.090000000000003 108.946 176.619 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 42.1 pt -135.92 154.61 34.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 108.752 -0.832 . . . . 56.93 108.752 173.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 81.1 mt -129.26 109.3 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 107.784 -1.191 . . . . 55.560000000000002 107.784 172.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 48.7 ttp -94.46 146.39 24.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.525 0.679 . . . . 73.280000000000001 111.103 -168.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 42.0 t . . . . . 0 C--N 1.329 -0.29 0 N-CA-C 108.128 -1.064 . . . . 60.359999999999999 108.128 172.026 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 95.3 mt -92.73 140.18 29.79 Favored 'General case' 0 C--N 1.371 1.543 0 CA-C-N 115.028 -0.987 . . . . 56.490000000000002 109.665 178.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -120.16 109.96 27.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 107.227 -1.397 . . . . 51.310000000000002 107.227 178.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -89.88 154.01 20.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.393 0.616 . . . . 50.969999999999999 109.605 174.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -119.76 136.48 54.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.611 -0.722 . . . . 71.709999999999994 109.823 -176.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' ALA . . . . . . . . . . . . . . . -144.37 147.84 33.93 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.738 -0.838 . . . . 49.219999999999999 108.738 179.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -84.26 110.29 18.44 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.33 -1.359 . . . . 82.030000000000001 107.33 172.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -83.44 98.87 9.74 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 107.904 -1.147 . . . . 70.629999999999995 107.904 -179.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' CYS . . . . . . . . . . . . . 99.4 m -99.72 -0.41 40.13 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.514 0.561 . . . . 118.98999999999999 112.514 176.999 -69.46 -73.901 118.974 104.418 2.033 105.662 -98.422 -66.786 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.23 -41.27 78.54 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.204 -0.998 . . . . 128.44 111.997 172.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 68.4 p -67.35 154.45 41.3 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.312 0.577 . . . . 158.40000000000001 109.782 169.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -46.87 -51.23 17.16 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.73 -0.668 . . . . 176.15000000000001 110.766 177.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.5 152.37 32.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.396 0.617 . . . . 148.78 110.119 172.78 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' CYS . . . . . . . . . . . . . 89.7 m -96.38 138.29 34.19 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.412 -0.959 . . . . 110.59999999999999 108.412 168.051 -66.786 -98.422 118.974 105.662 2.033 104.418 -73.901 -69.46 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -150.98 138.72 19.78 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.581 -0.526 . . . . 74.900000000000006 109.581 -177.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 30.1 mm -68.48 129.65 33.15 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 N-CA-C 108.974 -0.75 . . . . 82.489999999999995 108.974 174.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 31.4 pt -131.54 157.47 43.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.446 -0.343 . . . . 58.509999999999998 110.409 176.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 42.2 mt -128.01 105.38 8.36 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.635 -0.876 . . . . 56.759999999999998 108.635 176.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 18.2 ttt -94.09 129.94 40.45 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.737 -0.665 . . . . 72.040000000000006 110.295 -169.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 1.7 p . . . . . 0 C--N 1.328 -0.368 0 N-CA-C 108.635 -0.876 . . . . 61.670000000000002 108.635 174.57 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 88.5 mt -91.61 135.54 33.8 Favored 'General case' 0 C--N 1.372 1.561 0 CA-C-N 115.446 -0.797 . . . . 70.310000000000002 109.449 179.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 45.1 t -110.91 100.53 10.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 118.053 -1.459 . . . . 63.270000000000003 109.342 179.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -80.86 155.21 26.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.48 0.657 . . . . 60.899999999999999 110.001 174.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 5' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -121.28 141.71 50.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.616 -0.72 . . . . 62.350000000000001 109.838 -177.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.86 156.4 42.66 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.926 -0.768 . . . . 51.200000000000003 108.926 179.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 7' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -95.55 111.37 23.3 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 107.602 -1.259 . . . . 85.670000000000002 107.602 175.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 8' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -96.92 98.96 10.53 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.082 -1.081 . . . . 72.480000000000004 108.082 -176.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 9' ' ' CYS . . . . . . . . . . . . . 63.5 m -96.12 102.3 14.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.022 -1.103 . . . . 88.719999999999999 108.022 -178.531 -73.37 -69.147 106.592 103.931 2.03 104.891 -108.636 -54.678 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -84.68 -117.33 0.77 Allowed Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.753 -0.539 . . . . 111.73999999999999 111.753 177.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 76.0 p -119.52 -38.78 2.95 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.191 0.811 . . . . 134.81 113.191 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -96.08 -12.25 25.12 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 113.085 0.772 . . . . 141.36000000000001 113.085 179.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -177.16 153.87 1.0 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-N 118.514 0.597 . . . . 112.45 112.078 -173.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 14' ' ' CYS . . . . . . . . . . . . . 58.2 m -96.87 167.52 11.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.783 0.802 . . . . 103.23 109.23 165.65 -54.678 -108.636 106.592 104.891 2.03 103.931 -69.147 -73.37 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -170.81 131.48 0.85 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.558 -0.746 . . . . 75.730000000000004 110.971 -179.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 16' ' ' ILE . . . . . . . . . . . . . 39.4 mm -67.02 119.59 12.85 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 N-CA-C 108.462 -0.94 . . . . 69.730000000000004 108.462 176.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 17' ' ' ILE . . . . . . . . . . . . . 18.0 pt -116.96 163.47 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.923 -0.399 . . . . 59.469999999999999 109.923 -177.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 70.7 mt -138.87 96.3 3.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 107.996 -1.113 . . . . 64.599999999999994 107.996 174.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 13.3 ptp -93.96 140.65 29.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.225 0.536 . . . . 90.299999999999997 110.978 -172.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 107.329 -1.36 . . . . 69.290000000000006 107.329 175.006 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 81.5 mt -86.61 146.01 26.5 Favored 'General case' 0 C--N 1.371 1.514 0 CA-C-N 115.174 -0.921 . . . . 60.240000000000002 109.309 179.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 46.8 t -125.25 106.94 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 118.795 -1.162 . . . . 61.759999999999998 108.597 179.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -88.0 162.24 16.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.619 0.723 . . . . 55.170000000000002 109.806 174.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 5' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -126.22 140.47 52.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.484 -0.78 . . . . 63.740000000000002 109.724 -174.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.16 157.0 43.81 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.969 -0.752 . . . . 56.07 108.969 -179.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -97.12 106.86 19.27 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.751 -1.203 . . . . 96.010000000000005 107.751 176.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 8' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -88.69 112.96 23.75 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 108.574 -0.898 . . . . 82.879999999999995 108.574 -177.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 9' ' ' CYS . . . . . . . . . . . . . 77.0 m -104.82 147.25 27.92 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.517 0.675 . . . . 121.22 111.064 -174.672 -63.669 -78.272 105.558 104.468 2.034 105.147 -97.653 -48.695 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.36 107.89 0.34 Allowed Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.262 -0.881 . . . . 155.69999999999999 110.935 177.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m 55.19 30.17 14.04 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.011 0.434 . . . . 171.75999999999999 111.046 -170.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 12' ' ' ASN . . . . . . . . . . . . . 32.0 t30 67.86 43.39 1.74 Allowed 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.363 0.665 . . . . 179.72999999999999 111.363 -177.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -119.92 66.09 0.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 107.378 -1.341 . . . . 156.97999999999999 107.378 169.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 14' ' ' CYS . . . . . . . . . . . . . 23.6 m -75.61 157.83 33.25 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.957 0.884 . . . . 107.70999999999999 110.75 -174.48 -48.695 -97.653 105.558 105.147 2.034 104.468 -78.272 -63.669 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.78 151.94 9.42 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 108.454 -0.943 . . . . 74.859999999999999 108.454 179.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 16' ' ' ILE . . . . . . . . . . . . . 46.5 mm -78.33 134.37 28.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 N-CA-C 109.061 -0.718 . . . . 67.480000000000004 109.061 -177.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 17' ' ' ILE . . . . . . . . . . . . . 39.8 pt -133.22 161.58 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.988 -0.375 . . . . 58.149999999999999 109.988 177.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 19' ' ' LEU . . . . . . . . . . . . . 60.3 mt -128.96 106.91 9.21 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.703 -0.851 . . . . 63.670000000000002 108.703 176.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 20' ' ' MET . . . . . . . . . . . . . 2.9 ttt -92.15 142.16 27.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.904 -0.589 . . . . 75.019999999999996 110.762 -170.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 94.0 t . . . . . 0 C--N 1.328 -0.339 0 N-CA-C 108.368 -0.975 . . . . 65.159999999999997 108.368 174.278 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 101' ' ' JEF . . . . . 0.573 H121 ' H13' ' D' ' 101' ' ' JEF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_