data_3vcb_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 3vcb _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 ' 0' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 113.462 0.912 . . . . 62.46 113.462 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.9 m -20.14 -59.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 116.925 2.194 . . . . 60.58 116.925 -179.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -51.24 -57.2 9.45 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.97 0.73 . . . . 55.47 112.97 -177.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . 0.614 ' OE2' ' NH1' ' A' ' 52' ' ' ARG . 18.3 tt0 -66.77 -43.21 84.65 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 114.496 1.295 . . . . 73.54 114.496 -179.479 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -50.91 -51.32 53.17 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 108.166 -1.05 . . . . 72.45 108.166 179.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.2 mtm -68.52 -31.42 70.65 Favored 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 115.352 1.612 . . . . 61.73 115.352 -179.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.96 -15.92 15.32 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.005 -1.109 . . . . 53.97 108.005 178.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.2 mt -91.85 -7.49 49.21 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 114.714 1.375 . . . . 51.54 114.714 -179.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 p -116.59 162.74 17.16 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 113.149 0.796 . . . . 52.38 113.149 -178.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 m -99.68 122.75 43.15 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 107.841 -1.17 . . . . 51.26 107.841 178.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -151.26 159.23 44.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.39 0.614 . . . . 47.63 111.241 -179.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.5 tpp -88.84 123.53 33.31 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 106.444 -1.687 . . . . 51.44 106.444 -179.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.8 mt -78.92 120.24 29.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.286 -0.635 . . . . 53.03 109.286 -179.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.4 p -123.89 169.48 11.54 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.638 -0.875 . . . . 53.58 108.638 178.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.75 -38.78 16.19 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.553 -0.536 . . . . 62.93 109.553 179.18 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -73.74 -33.21 64.21 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 116.048 1.87 . . . . 57.15 116.048 -178.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 99.6 p -87.12 -24.48 24.51 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 119.238 -0.985 . . . . 57.04 110.34 179.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TYR . . . . . 0.471 ' C ' ' O ' ' A' ' 101' ' ' HOH . 87.5 t80 -62.95 -66.17 0.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 103.393 -2.817 . . . . 53.91 103.393 177.657 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 m -46.34 -53.53 10.71 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 116.123 1.897 . . . . 54.82 116.123 -179.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -52.57 -45.38 66.43 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 118.344 -1.342 . . . . 55.87 108.194 179.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.5 mt -63.73 -42.98 97.8 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.991 1.108 . . . . 53.09 113.991 -178.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . 0.659 ' CB ' ' O ' ' A' ' 101' ' ' HOH . 13.9 mmtt -64.08 -41.78 97.19 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 114.268 1.21 . . . . 58.84 114.268 -179.633 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -62.98 -38.36 90.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.426 0.631 . . . . 65.66 111.942 -179.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.3 m -62.98 -38.06 89.62 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 114.021 1.119 . . . . 60.49 114.021 -178.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.6 t -101.47 138.91 24.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 115.985 1.846 . . . . 57.54 115.985 -176.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.7 p -69.19 154.84 41.39 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.005 -1.109 . . . . 54.0 108.005 178.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.89 -41.04 86.21 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 121.242 0.544 . . . . 65.44 109.713 -179.758 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.7 t -54.16 -45.16 66.28 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 114.543 -1.208 . . . . 50.94 110.997 178.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.43 -54.13 19.08 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.767 -0.651 . . . . 49.34 109.992 179.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -53.76 -50.17 66.6 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-O 122.244 1.021 . . . . 43.69 110.791 -179.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -66.8 -38.12 85.88 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 118.681 -1.207 . . . . 51.7 111.836 -178.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.1 ttt-85 -54.55 -53.06 59.48 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 107.13 -1.433 . . . . 78.52 107.13 178.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -54.8 -56.91 14.25 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 115.142 -0.935 . . . . 51.26 110.286 179.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.9 tp -47.44 -41.65 20.78 Favored 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 107.159 -1.423 . . . . 51.3 107.159 179.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.5 t -68.76 -35.12 76.67 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.136 -0.938 . . . . 52.41 112.748 -178.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 56.4 mt -73.89 -8.71 57.08 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.568 -0.853 . . . . 49.26 110.712 179.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' TYR . . . . . 0.538 ' O ' ' CG ' ' A' ' 40' ' ' ARG . 73.0 t80 -60.19 -39.51 86.79 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 106.088 -1.819 . . . . 58.65 106.088 178.743 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -63.01 -10.74 15.0 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 115.0 1.482 . . . . 65.8 115.0 -179.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -95.39 -51.8 4.42 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 121.824 0.821 . . . . 56.25 111.163 178.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -74.78 -29.45 61.12 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 115.577 1.695 . . . . 51.35 115.577 -178.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ARG . . . . . 0.538 ' CG ' ' O ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -53.12 -26.78 17.79 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.483 -0.932 . . . . 62.53 108.483 178.232 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -107.66 -2.91 19.73 Favored 'General case' 0 CA--C 1.505 -0.777 0 N-CA-C 114.218 1.192 . . . . 63.2 114.218 -177.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -75.09 132.94 41.61 Favored 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 118.495 -1.282 . . . . 60.06 108.392 -179.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.8 t -141.64 96.06 2.92 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 122.131 0.967 . . . . 57.9 108.911 178.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 154.15 -166.65 32.13 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 119.853 -1.165 . . . . 57.97 114.533 -179.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -70.08 138.37 51.98 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 114.343 1.238 . . . . 64.5 114.343 -179.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.4 ptp -147.81 157.94 43.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 102.931 -2.989 . . . . 60.73 102.931 178.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -88.69 176.37 7.13 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.583 -1.266 . . . . 67.1 107.583 179.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 98.9 m -52.5 -42.78 64.59 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 119.268 3.062 . . . . 52.93 119.268 -178.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.59 -35.22 78.56 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.311 0.577 . . . . 47.11 111.623 -179.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.62 -47.67 71.91 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 107.796 -1.187 . . . . 46.09 107.796 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -58.62 -36.63 74.37 Favored 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 120.075 -0.65 . . . . 47.28 110.002 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ARG . . . . . 0.614 ' NH1' ' OE2' ' A' ' 3' ' ' GLU . 53.6 mtt-85 -66.39 -42.86 87.26 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.924 -0.31 . . . . 71.5 111.501 179.111 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -67.32 -30.6 70.48 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 108.483 -0.932 . . . . 52.32 108.483 178.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.9 86.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.339 -0.846 . . . . 44.86 111.04 179.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.33 -29.82 67.73 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.67 -0.696 . . . . 44.7 110.507 -179.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 97.4 m -71.67 -45.9 60.52 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.094 -0.503 . . . . 47.65 109.713 178.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.5 p -58.96 -34.17 71.48 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 109.375 -0.602 . . . . 47.35 109.375 179.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -34.52 72.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.562 -0.745 . . . . 58.16 112.292 179.229 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.1 tp -78.15 -39.57 40.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.204 0.526 . . . . 45.55 109.996 179.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.17 -43.21 78.16 Favored 'General case' 0 CA--C 1.509 -0.603 0 N-CA-C 106.874 -1.528 . . . . 48.36 106.874 179.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -65.41 -46.1 81.34 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 114.527 -1.215 . . . . 56.59 111.301 -179.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.92 -34.6 74.93 Favored 'General case' 0 C--O 1.247 0.954 0 CA-C-O 120.945 0.402 . . . . 44.98 111.141 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 81.5 mtp -67.51 -40.56 85.13 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 109.287 -0.635 . . . . 46.38 109.287 178.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLU . . . . . 0.535 ' OE1' ' CE1' ' A' ' 68' ' ' HIS . 14.5 tp10 -70.42 -33.26 71.13 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 107.85 -1.166 . . . . 44.45 107.85 179.818 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.6 m -69.16 -34.66 75.33 Favored 'General case' 0 C--O 1.222 -0.36 0 N-CA-C 107.48 -1.304 . . . . 44.86 107.48 177.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -65.26 -59.74 3.74 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.989 -1.115 . . . . 50.17 107.989 179.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -48.19 -42.23 29.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.701 -1.136 . . . . 56.64 113.093 -179.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' HIS . . . . . 0.535 ' CE1' ' OE1' ' A' ' 64' ' ' GLU . 32.6 m170 -90.31 18.55 5.95 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 120.287 3.439 . . . . 56.37 120.287 -177.96 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -131.31 30.17 4.52 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.31 -1.737 . . . . 54.01 106.31 177.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 63.18 29.57 16.02 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 112.588 -2.096 . . . . 53.68 114.918 176.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.57 15.49 81.31 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 117.497 1.759 . . . . 54.9 117.497 177.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -67.72 146.16 54.04 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 103.452 -2.796 . . . . 64.51 103.452 177.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -55.52 137.27 49.01 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.622 -0.831 . . . . 66.04 110.639 179.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -135.67 123.82 37.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 N-CA-C 102.789 -3.041 . . . . 50.28 102.789 176.216 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.0 tp -76.81 120.83 22.51 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.01 -0.996 . . . . 49.42 112.407 -178.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -89.67 140.01 29.99 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 106.784 -1.562 . . . . 45.74 106.784 177.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -146.44 125.84 6.64 Favored Pre-proline 0 CA--C 1.504 -0.809 0 O-C-N 123.672 0.608 . . . . 57.57 110.4 178.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -56.29 155.46 24.77 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 117.718 -1.055 . . . . 50.19 111.655 179.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -59.78 127.56 23.93 Favored 'Trans proline' 0 CA--C 1.512 -0.615 0 C-N-CA 123.176 2.584 . . . . 50.42 108.252 179.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.83 132.72 50.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.478 -0.934 . . . . 52.6 108.478 179.415 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -144.52 152.31 40.39 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 115.492 1.664 . . . . 55.42 115.492 -179.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' SER . . . . . 0.491 ' OG ' ' CG2' ' B' ' 84' ' ' THR . 39.5 p -128.84 126.74 40.45 Favored 'General case' 0 CA--C 1.506 -0.719 0 N-CA-C 104.6 -2.37 . . . . 58.35 104.6 178.705 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.88 126.31 67.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.616 -0.72 . . . . 52.77 109.745 179.214 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.8 p -91.65 130.35 37.47 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 102.854 -3.017 . . . . 53.91 102.854 177.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' THR . . . . . 0.624 ' CG2' ' O ' ' B' ' 80' ' ' THR . 0.7 OUTLIER -130.38 164.13 25.38 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 118.26 2.689 . . . . 54.89 118.26 -174.212 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.22 143.11 18.84 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 100.728 -3.804 . . . . 53.07 100.728 176.592 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' PHE . . . . . 0.658 ' CB ' ' O ' ' B' ' 110' ' ' HOH . 3.6 m-85 -106.92 -177.97 3.51 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 116.791 2.145 . . . . 56.27 116.791 -175.961 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.261 1.658 0 N-CA-C 113.144 0.794 . . . . 62.69 113.144 178.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' SER . . . . . 0.465 ' O ' ' CG ' ' B' ' 4' ' ' GLU . 51.0 m . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.395 -0.594 . . . . 58.04 109.395 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 6.5 m -62.17 -49.76 74.55 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 112.561 0.578 . . . . 53.82 112.561 -179.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -54.58 -66.73 0.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.121 0.786 . . . . 48.37 113.121 -179.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.26 -33.63 69.6 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 120.643 -0.423 . . . . 70.95 110.093 -179.7 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' B' ' 0' ' ' SER . 48.2 mt-10 -60.64 -48.66 80.81 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.62 -0.882 . . . . 64.57 108.62 178.31 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 24.5 mmm -63.47 -33.76 76.29 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.13 -0.941 . . . . 63.04 113.495 179.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.16 -5.2 20.97 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.716 -0.475 . . . . 51.89 109.716 179.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 99.0 mt -114.05 26.14 10.56 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.497 0.665 . . . . 51.54 111.209 179.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.4 p -145.24 154.37 42.31 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 115.132 -0.94 . . . . 53.26 109.691 179.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.3 m -95.11 133.19 39.2 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 108.324 -0.991 . . . . 50.49 108.324 179.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -170.23 169.95 7.5 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.896 0.747 . . . . 47.0 111.145 -179.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 8.5 mmt -89.52 137.21 32.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.034 -0.53 . . . . 56.47 111.218 -179.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' B' ' 74' ' ' VAL . 10.7 mm -93.12 115.75 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 102.739 -3.06 . . . . 53.03 102.739 177.157 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 37.6 p -132.06 -173.46 3.15 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.691 0.757 . . . . 54.94 110.793 -178.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -50.85 -67.75 0.23 Allowed 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.025 -1.102 . . . . 67.11 108.025 177.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -51.18 -56.84 10.76 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.513 0.673 . . . . 70.07 111.138 179.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.3 t -46.34 -59.78 2.73 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 114.332 1.234 . . . . 58.92 114.332 -178.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -58.01 -44.67 87.4 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.077 -0.965 . . . . 55.35 112.63 -179.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 37.5 m -58.52 -46.02 87.63 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 122.118 0.961 . . . . 57.28 108.509 179.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -53.05 -53.58 48.11 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 108.2 -1.037 . . . . 56.62 108.2 179.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 52.6 mt -64.4 -31.59 72.86 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 119.67 3.211 . . . . 46.4 119.67 -177.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -71.38 -31.59 67.49 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 107.528 -1.286 . . . . 61.92 107.528 -179.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -84.5 1.65 44.67 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 115.37 1.618 . . . . 50.75 115.37 -179.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 67.1 m -110.97 6.43 21.05 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.337 0.589 . . . . 48.24 110.849 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 4.9 p -146.27 152.52 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 115.059 -0.973 . . . . 49.59 110.148 -178.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 78.4 p -84.59 146.27 27.6 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.758 -1.201 . . . . 49.85 107.758 178.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -66.4 -27.24 67.7 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 119.777 -0.769 . . . . 64.26 110.963 -179.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 41.6 t -66.17 -35.03 74.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 119.475 -0.89 . . . . 46.52 108.81 178.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.46 -42.44 20.32 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 108.236 -1.024 . . . . 44.82 108.236 -179.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -55.65 -48.97 74.12 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.777 -0.823 . . . . 45.24 108.777 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -69.95 -22.22 63.19 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 120.48 -0.488 . . . . 49.95 111.677 -179.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 -73.6 -43.54 59.43 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 107.092 -1.447 . . . . 64.18 107.092 178.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -61.25 -41.85 97.62 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 124.831 1.252 . . . . 55.26 110.591 179.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 11.0 tp -63.76 -26.82 68.81 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 114.832 -1.076 . . . . 53.53 111.666 179.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.45 -51.2 12.25 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.072 0.949 . . . . 56.62 113.338 179.501 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' LEU . . . . . 0.587 ' O ' ' N ' ' B' ' 38' ' ' LYS . 13.5 mt -56.83 -36.55 70.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.725 -1.125 . . . . 59.5 111.233 179.652 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' TYR . . . . . 0.724 ' CE1' ' O ' ' B' ' 110' ' ' HOH . 23.7 t80 -41.58 -33.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.96 -0.564 . . . . 67.89 111.868 -179.822 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -71.87 -32.03 67.05 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.382 -0.97 . . . . 67.1 108.382 -179.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' B' ' 35' ' ' LEU . 36.0 ttmt -61.86 -43.57 98.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.394 -0.821 . . . . 64.24 109.767 179.23 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' TYR . . . . . 0.538 ' O ' ' C ' ' B' ' 40' ' ' ARG . 69.5 m-85 -97.07 -32.77 11.81 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 117.457 2.391 . . . . 63.42 117.457 -177.836 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ARG . . . . . 0.538 ' C ' ' O ' ' B' ' 39' ' ' TYR . 0.2 OUTLIER -12.73 -63.73 0.01 OUTLIER 'General case' 0 C--O 1.237 0.442 0 N-CA-C 113.726 1.01 . . . . 79.1 113.726 -178.673 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -102.23 28.0 6.23 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 118.151 2.649 . . . . 69.28 118.151 -177.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' B' ' 39' ' ' TYR . 73.2 t80 -100.67 136.36 40.67 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.788 0.804 . . . . 60.44 112.453 178.02 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 6.3 m -133.94 139.36 46.07 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 107.714 -1.217 . . . . 60.91 107.714 178.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.25 -174.94 19.79 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.023 -0.831 . . . . 58.05 111.023 -178.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -73.58 155.85 38.68 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 116.968 2.21 . . . . 56.31 116.968 -179.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 24.1 ptp -165.3 157.06 14.91 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 106.645 -1.613 . . . . 62.0 106.645 178.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -69.03 145.5 53.48 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 120.463 -0.495 . . . . 71.41 111.67 -179.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -29.35 3.24 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 114.358 1.244 . . . . 66.61 114.358 -179.654 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.78 -33.87 60.18 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 110.09 -0.337 . . . . 58.83 110.09 -179.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.93 -30.58 62.64 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 108.599 -0.889 . . . . 55.59 108.599 179.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -63.95 -43.51 95.6 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.915 -0.402 . . . . 52.45 109.915 178.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 34.6 mtm-85 -63.0 -41.72 99.66 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.052 0.76 . . . . 78.7 113.052 -179.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -66.53 -42.52 87.13 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 107.477 -1.305 . . . . 62.87 107.477 178.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.86 -43.08 94.88 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.048 0.939 . . . . 49.76 112.406 179.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.27 77.65 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 122.627 0.371 . . . . 49.02 111.292 179.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 67.2 m -67.18 -36.73 82.38 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 108.285 -1.005 . . . . 52.31 108.285 179.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' B' ' 107' ' ' HOH . 1.8 m -59.57 -45.8 90.8 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-N 116.032 -0.531 . . . . 54.24 110.477 179.882 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' B' ' 77' ' ' GLN . 35.6 tt0 -66.96 -31.32 71.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.37 -0.832 . . . . 62.12 111.299 -179.954 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 14.7 tp -70.69 -37.21 73.58 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 107.306 -1.368 . . . . 48.09 107.306 179.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.3 -53.87 51.17 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.807 -0.442 . . . . 50.31 109.807 179.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -56.81 -45.15 82.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 56.37 111.809 179.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.63 -31.08 69.17 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.225 0.536 . . . . 49.0 110.717 -179.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 46.8 mtp -76.72 -42.89 39.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.045 -0.979 . . . . 57.08 113.632 -179.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' GLU . . . . . 0.579 ' OE1' ' CE1' ' B' ' 68' ' ' HIS . 21.9 tp10 -69.02 -28.62 66.74 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 107.567 -1.271 . . . . 53.23 107.567 -179.702 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 24.0 m -64.57 -50.77 65.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 119.745 -0.782 . . . . 61.08 109.336 178.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -57.63 -43.1 84.57 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-O 120.97 0.414 . . . . 54.24 111.284 178.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -63.34 -30.14 71.33 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 114.26 1.207 . . . . 64.45 114.26 -178.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' HIS . . . . . 0.579 ' CE1' ' OE1' ' B' ' 64' ' ' GLU . 41.6 m80 -106.25 31.35 5.21 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 123.819 1.771 . . . . 56.94 110.609 179.537 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' B' ' 70' ' ' ASN . 0.9 OUTLIER -110.69 -23.07 11.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 111.966 -2.379 . . . . 65.67 107.305 179.165 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' B' ' 69' ' ' ASN . 27.2 m120 86.68 45.29 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 106.907 -1.516 . . . . 66.73 106.907 -177.899 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.59 43.79 95.98 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 119.314 -1.422 . . . . 65.21 114.872 -179.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.81 -128.59 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 103.08 -2.933 . . . . 68.72 103.08 176.597 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -165.08 129.01 2.38 Favored 'General case' 0 CA--C 1.483 -1.626 0 N-CA-C 103.125 -2.917 . . . . 59.66 103.125 177.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' B' ' 12' ' ' ILE . 0.6 OUTLIER -128.28 138.85 53.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 CA-C-O 123.161 1.457 . . . . 52.15 111.097 -179.644 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 49.2 tp -75.92 135.02 40.1 Favored 'General case' 0 N--CA 1.422 -1.865 0 CA-C-N 112.871 -1.968 . . . . 52.33 107.846 179.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -121.19 119.23 31.74 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.845 0.831 . . . . 46.88 108.947 176.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' GLN . . . . . 0.467 ' O ' ' NE2' ' B' ' 58' ' ' GLN . 61.1 mt-30 -122.69 131.94 24.32 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 105.053 -2.203 . . . . 58.83 105.053 178.929 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -54.17 159.48 7.72 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 120.619 0.88 . . . . 47.79 110.026 179.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' PRO . . . . . 0.416 ' CB ' ' CD1' ' A' ' 87' ' ' PHE . 40.0 Cg_endo -65.45 142.48 72.18 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 113.762 -3.692 . . . . 54.74 110.418 179.33 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' THR . . . . . 0.624 ' O ' ' CG2' ' A' ' 85' ' ' THR . 43.6 m -43.57 134.07 4.24 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 114.506 1.298 . . . . 58.05 114.506 -179.389 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -134.59 116.31 14.87 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 115.989 1.848 . . . . 57.48 115.989 -178.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 3.1 t -116.17 105.32 12.46 Favored 'General case' 0 N--CA 1.454 -0.236 1 N-CA-C 99.616 -4.216 . . . . 56.17 99.616 177.385 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -96.79 135.22 31.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.739 -0.664 . . . . 56.31 110.911 -177.847 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' THR . . . . . 0.491 ' CG2' ' OG ' ' A' ' 82' ' ' SER . 1.2 t -115.19 117.13 29.65 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 114.833 -1.076 . . . . 58.74 110.865 179.993 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 64.3 p -118.74 156.33 29.53 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 107.171 -1.418 . . . . 58.86 107.171 178.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m -131.4 111.25 11.66 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 119.997 -0.681 . . . . 59.92 111.6 178.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 45.92 38.48 4.54 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.846 -0.798 . . . . 63.64 108.846 179.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 51.4 mt . . . . . 0 C--O 1.258 1.549 0 CA-C-N 115.781 -0.645 . . . . 63.63 110.584 -178.372 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HOH . . . . . 0.411 ' O ' ' NH2' ' A' ' 52' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . 0.659 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' B' B ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' 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 ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . 0.5 ' O ' ' CB ' ' B' ' 57' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . 0.724 ' O ' ' CE1' ' B' ' 36' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . 0.456 ' O ' ' NH1' ' B' ' 40' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' HOH . . . . . 0.491 ' O ' ' CZ ' ' B' ' 40' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 113.462 0.912 . . . . 62.460000000000001 113.462 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' THR . . . . . 0.562 HG21 ' HE2' ' A' ' 19' ' ' LYS . 11.9 m -20.14 -59.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 116.925 2.194 . . . . 60.579999999999998 116.925 -179.449 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -51.24 -57.2 9.45 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.97 0.73 . . . . 55.469999999999999 112.97 -177.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . 0.614 ' OE2' ' NH1' ' A' ' 52' ' ' ARG . 18.3 tt0 -66.77 -43.21 84.65 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 114.496 1.295 . . . . 73.540000000000006 114.496 -179.479 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -50.91 -51.32 53.17 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 108.166 -1.05 . . . . 72.450000000000003 108.166 179.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' MET . . . . . 0.607 ' HE3' HD21 ' A' ' 20' ' ' LEU . 1.2 mtm -68.52 -31.42 70.65 Favored 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 115.352 1.612 . . . . 61.729999999999997 115.352 -179.094 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.96 -15.92 15.32 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.005 -1.109 . . . . 53.969999999999999 108.005 178.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.2 mt -91.85 -7.49 49.21 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 114.714 1.375 . . . . 51.539999999999999 114.714 -179.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 p -116.59 162.74 17.16 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 113.149 0.796 . . . . 52.380000000000003 113.149 -178.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' THR . . . . . 0.486 ' OG1' ' HG2' ' A' ' 77' ' ' GLN . 2.9 m -99.68 122.75 43.15 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 107.841 -1.17 . . . . 51.259999999999998 107.841 178.288 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -151.26 159.23 44.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.39 0.614 . . . . 47.630000000000003 111.241 -179.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.5 tpp -88.84 123.53 33.31 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 106.444 -1.687 . . . . 51.439999999999998 106.444 -179.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.8 mt -78.92 120.24 29.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.286 -0.635 . . . . 53.030000000000001 109.286 -179.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.4 p -123.89 169.48 11.54 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.638 -0.875 . . . . 53.579999999999998 108.638 178.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.75 -38.78 16.19 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.553 -0.536 . . . . 62.93 109.553 179.18 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -73.74 -33.21 64.21 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 116.048 1.87 . . . . 57.149999999999999 116.048 -178.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 99.6 p -87.12 -24.48 24.51 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 119.238 -0.985 . . . . 57.039999999999999 110.34 179.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TYR . . . . . 0.471 ' C ' ' O ' ' A' ' 101' ' ' HOH . 87.5 t80 -62.95 -66.17 0.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 103.393 -2.817 . . . . 53.909999999999997 103.393 177.657 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 m -46.34 -53.53 10.71 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 116.123 1.897 . . . . 54.82 116.123 -179.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LYS . . . . . 0.562 ' HE2' HG21 ' A' ' 1' ' ' THR . 66.9 tttt -52.57 -45.38 66.43 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 118.344 -1.342 . . . . 55.869999999999997 108.194 179.293 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . 0.607 HD21 ' HE3' ' A' ' 5' ' ' MET . 71.5 mt -63.73 -42.98 97.8 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.991 1.108 . . . . 53.090000000000003 113.991 -178.978 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . 0.888 ' HB2' ' O ' ' A' ' 101' ' ' HOH . 13.9 mmtt -64.08 -41.78 97.19 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 114.268 1.21 . . . . 58.840000000000003 114.268 -179.633 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASN . . . . . 0.563 ' HB2' ' O ' ' A' ' 93' ' ' HOH . 58.4 m-20 -62.98 -38.36 90.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.426 0.631 . . . . 65.659999999999997 111.942 -179.296 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.3 m -62.98 -38.06 89.62 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 114.021 1.119 . . . . 60.490000000000002 114.021 -178.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' VAL . . . . . 0.759 HG13 ' HB3' ' A' ' 28' ' ' ALA . 2.6 t -101.47 138.91 24.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 115.985 1.846 . . . . 57.539999999999999 115.985 -176.093 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.7 p -69.19 154.84 41.39 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.005 -1.109 . . . . 54.0 108.005 178.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.89 -41.04 86.21 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 121.242 0.544 . . . . 65.439999999999998 109.713 -179.758 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.7 t -54.16 -45.16 66.28 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 114.543 -1.208 . . . . 50.939999999999998 110.997 178.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . 0.759 ' HB3' HG13 ' A' ' 24' ' ' VAL . . . -68.43 -54.13 19.08 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.767 -0.651 . . . . 49.340000000000003 109.992 179.827 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -53.76 -50.17 66.6 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-O 122.244 1.021 . . . . 43.689999999999998 110.791 -179.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -66.8 -38.12 85.88 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 118.681 -1.207 . . . . 51.700000000000003 111.836 -178.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ARG . . . . . 0.406 ' O ' ' HB3' ' A' ' 34' ' ' SER . 31.1 ttt-85 -54.55 -53.06 59.48 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 107.13 -1.433 . . . . 78.519999999999996 107.13 178.586 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -54.8 -56.91 14.25 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 115.142 -0.935 . . . . 51.259999999999998 110.286 179.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.9 tp -47.44 -41.65 20.78 Favored 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 107.159 -1.423 . . . . 51.299999999999997 107.159 179.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' ' 31' ' ' ARG . 46.5 t -68.76 -35.12 76.67 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.136 -0.938 . . . . 52.409999999999997 112.748 -178.954 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 56.4 mt -73.89 -8.71 57.08 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.568 -0.853 . . . . 49.259999999999998 110.712 179.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' TYR . . . . . 1.022 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 73.0 t80 -60.19 -39.51 86.79 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 106.088 -1.819 . . . . 58.649999999999999 106.088 178.743 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . 0.911 ' HA ' ' HD2' ' A' ' 40' ' ' ARG . 3.1 m120 -63.01 -10.74 15.0 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 115.0 1.482 . . . . 65.799999999999997 115.0 -179.65 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -95.39 -51.8 4.42 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 121.824 0.821 . . . . 56.25 111.163 178.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -74.78 -29.45 61.12 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 115.577 1.695 . . . . 51.350000000000001 115.577 -178.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ARG . . . . . 1.022 ' HG2' ' O ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -53.12 -26.78 17.79 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.483 -0.932 . . . . 62.530000000000001 108.483 178.232 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 41' ' ' TYR . . . . . 0.834 ' CZ ' ' HD3' ' A' ' 40' ' ' ARG . 13.8 m-85 -107.66 -2.91 19.73 Favored 'General case' 0 CA--C 1.505 -0.777 0 N-CA-C 114.218 1.192 . . . . 63.200000000000003 114.218 -177.76 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -75.09 132.94 41.61 Favored 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 118.495 -1.282 . . . . 60.060000000000002 108.392 -179.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.8 t -141.64 96.06 2.92 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 122.131 0.967 . . . . 57.899999999999999 108.911 178.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 154.15 -166.65 32.13 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 119.853 -1.165 . . . . 57.969999999999999 114.533 -179.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -70.08 138.37 51.98 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 114.343 1.238 . . . . 64.5 114.343 -179.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' MET . . . . . 0.737 ' HG3' HG22 ' B' ' 83' ' ' VAL . 5.4 ptp -147.81 157.94 43.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 102.931 -2.989 . . . . 60.729999999999997 102.931 178.014 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -88.69 176.37 7.13 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.583 -1.266 . . . . 67.099999999999994 107.583 179.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 98.9 m -52.5 -42.78 64.59 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 119.268 3.062 . . . . 52.93 119.268 -178.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.59 -35.22 78.56 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.311 0.577 . . . . 47.109999999999999 111.623 -179.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.62 -47.67 71.91 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 107.796 -1.187 . . . . 46.090000000000003 107.796 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' TYR . . . . . 0.53 ' HB2' HG21 ' B' ' 83' ' ' VAL . 86.9 t80 -58.62 -36.63 74.37 Favored 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 120.075 -0.65 . . . . 47.280000000000001 110.002 178.445 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ARG . . . . . 0.614 ' NH1' ' OE2' ' A' ' 3' ' ' GLU . 53.6 mtt-85 -66.39 -42.86 87.26 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.924 -0.31 . . . . 71.5 111.501 179.111 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -67.32 -30.6 70.48 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 108.483 -0.932 . . . . 52.32 108.483 178.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.9 86.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.339 -0.846 . . . . 44.859999999999999 111.04 179.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.33 -29.82 67.73 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.67 -0.696 . . . . 44.700000000000003 110.507 -179.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 97.4 m -71.67 -45.9 60.52 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.094 -0.503 . . . . 47.649999999999999 109.713 178.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.5 p -58.96 -34.17 71.48 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 109.375 -0.602 . . . . 47.350000000000001 109.375 179.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -34.52 72.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.562 -0.745 . . . . 58.159999999999997 112.292 179.229 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.1 tp -78.15 -39.57 40.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.204 0.526 . . . . 45.549999999999997 109.996 179.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.17 -43.21 78.16 Favored 'General case' 0 CA--C 1.509 -0.603 0 N-CA-C 106.874 -1.528 . . . . 48.359999999999999 106.874 179.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LYS . . . . . 0.546 ' HD3' ' CD2' ' A' ' 36' ' ' TYR . 14.2 tptt -65.41 -46.1 81.34 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 114.527 -1.215 . . . . 56.590000000000003 111.301 -179.12 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.92 -34.6 74.93 Favored 'General case' 0 C--O 1.247 0.954 0 CA-C-O 120.945 0.402 . . . . 44.979999999999997 111.141 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 81.5 mtp -67.51 -40.56 85.13 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 109.287 -0.635 . . . . 46.380000000000003 109.287 178.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -70.42 -33.26 71.13 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 107.85 -1.166 . . . . 44.450000000000003 107.85 179.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.6 m -69.16 -34.66 75.33 Favored 'General case' 0 C--O 1.222 -0.36 0 N-CA-C 107.48 -1.304 . . . . 44.859999999999999 107.48 177.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' PHE . . . . . 0.585 ' HD1' HG12 ' A' ' 74' ' ' VAL . 90.1 t80 -65.26 -59.74 3.74 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.989 -1.115 . . . . 50.170000000000002 107.989 179.448 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -48.19 -42.23 29.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.701 -1.136 . . . . 56.640000000000001 113.093 -179.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -90.31 18.55 5.95 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 120.287 3.439 . . . . 56.369999999999997 120.287 -177.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' A' ' 99' ' ' HOH . 9.1 m-80 -131.31 30.17 4.52 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.31 -1.737 . . . . 54.009999999999998 106.31 177.209 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 63.18 29.57 16.02 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 112.588 -2.096 . . . . 53.68 114.918 176.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.57 15.49 81.31 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 117.497 1.759 . . . . 54.899999999999999 117.497 177.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -67.72 146.16 54.04 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 103.452 -2.796 . . . . 64.510000000000005 103.452 177.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -55.52 137.27 49.01 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.622 -0.831 . . . . 66.040000000000006 110.639 179.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' VAL . . . . . 0.585 HG12 ' HD1' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -135.67 123.82 37.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 N-CA-C 102.789 -3.041 . . . . 50.280000000000001 102.789 176.216 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.0 tp -76.81 120.83 22.51 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.01 -0.996 . . . . 49.420000000000002 112.407 -178.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -89.67 140.01 29.99 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 106.784 -1.562 . . . . 45.740000000000002 106.784 177.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLN . . . . . 0.486 ' HG2' ' OG1' ' A' ' 9' ' ' THR . 37.9 mt-30 -146.44 125.84 6.64 Favored Pre-proline 0 CA--C 1.504 -0.809 0 O-C-N 123.672 0.608 . . . . 57.57 110.4 178.92 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -56.29 155.46 24.77 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 117.718 -1.055 . . . . 50.189999999999998 111.655 179.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PRO . . . . . 0.574 ' CG ' HD22 ' B' ' 88' ' ' LEU . 77.8 Cg_exo -59.78 127.56 23.93 Favored 'Trans proline' 0 CA--C 1.512 -0.615 0 C-N-CA 123.176 2.584 . . . . 50.420000000000002 108.252 179.653 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.83 132.72 50.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.478 -0.934 . . . . 52.600000000000001 108.478 179.415 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ALA . . . . . 0.438 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . . . -144.52 152.31 40.39 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 115.492 1.664 . . . . 55.420000000000002 115.492 -179.887 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' SER . . . . . 0.854 ' OG ' HG22 ' B' ' 84' ' ' THR . 39.5 p -128.84 126.74 40.45 Favored 'General case' 0 CA--C 1.506 -0.719 0 N-CA-C 104.6 -2.37 . . . . 58.350000000000001 104.6 178.705 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.88 126.31 67.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.616 -0.72 . . . . 52.770000000000003 109.745 179.214 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' THR . . . . . 0.68 HG22 ' HG2' ' B' ' 45' ' ' LYS . 2.8 p -91.65 130.35 37.47 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 102.854 -3.017 . . . . 53.909999999999997 102.854 177.743 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' THR . . . . . 0.993 HG23 ' O ' ' B' ' 80' ' ' THR . 0.7 OUTLIER -130.38 164.13 25.38 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 118.26 2.689 . . . . 54.890000000000001 118.26 -174.212 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 86' ' ' SER . . . . . 0.401 ' N ' HG22 ' A' ' 85' ' ' THR . 0.0 OUTLIER -156.22 143.11 18.84 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 100.728 -3.804 . . . . 53.07 100.728 176.592 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 87' ' ' PHE . . . . . 0.686 ' HB3' ' O ' ' B' ' 110' ' ' HOH . 3.6 m-85 -106.92 -177.97 3.51 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 116.791 2.145 . . . . 56.270000000000003 116.791 -175.961 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LEU . . . . . 0.457 HD21 ' HB2' ' B' ' 77' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--O 1.261 1.658 0 N-CA-C 113.144 0.794 . . . . 62.689999999999998 113.144 178.305 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 0' ' ' SER . . . . . 0.576 ' O ' ' HG3' ' B' ' 4' ' ' GLU . 51.0 m . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.395 -0.594 . . . . 58.039999999999999 109.395 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' THR . . . . . 0.429 ' O ' ' HG2' ' B' ' 5' ' ' MET . 6.5 m -62.17 -49.76 74.55 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 112.561 0.578 . . . . 53.82 112.561 -179.104 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 2' ' ' PHE . . . . . 0.643 ' HB3' ' O ' ' B' ' 99' ' ' HOH . 53.4 t80 -54.58 -66.73 0.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.121 0.786 . . . . 48.369999999999997 113.121 -179.638 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLU . . . . . 0.732 ' HG3' ' O ' ' B' ' 99' ' ' HOH . 0.3 OUTLIER -58.26 -33.63 69.6 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 120.643 -0.423 . . . . 70.950000000000003 110.093 -179.7 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' B' ' 0' ' ' SER . 48.2 mt-10 -60.64 -48.66 80.81 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.62 -0.882 . . . . 64.569999999999993 108.62 178.31 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' MET . . . . . 0.429 ' HG2' ' O ' ' B' ' 1' ' ' THR . 24.5 mmm -63.47 -33.76 76.29 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.13 -0.941 . . . . 63.039999999999999 113.495 179.945 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.16 -5.2 20.97 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.716 -0.475 . . . . 51.890000000000001 109.716 179.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' LEU . . . . . 0.456 HD11 ' HG2' ' B' ' 52' ' ' ARG . 99.0 mt -114.05 26.14 10.56 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.497 0.665 . . . . 51.539999999999999 111.209 179.535 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.4 p -145.24 154.37 42.31 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 115.132 -0.94 . . . . 53.259999999999998 109.691 179.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.3 m -95.11 133.19 39.2 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 108.324 -0.991 . . . . 50.490000000000002 108.324 179.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -170.23 169.95 7.5 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.896 0.747 . . . . 47.0 111.145 -179.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 8.5 mmt -89.52 137.21 32.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.034 -0.53 . . . . 56.469999999999999 111.218 -179.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 10.7 mm -93.12 115.75 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 102.739 -3.06 . . . . 53.030000000000001 102.739 177.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' THR . . . . . 0.711 ' H ' ' HB3' ' B' ' 16' ' ' SER . 37.6 p -132.06 -173.46 3.15 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.691 0.757 . . . . 54.939999999999998 110.793 -178.42 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -50.85 -67.75 0.23 Allowed 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.025 -1.102 . . . . 67.109999999999999 108.025 177.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -51.18 -56.84 10.76 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.513 0.673 . . . . 70.069999999999993 111.138 179.25 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' SER . . . . . 0.711 ' HB3' ' H ' ' B' ' 13' ' ' THR . 1.3 t -46.34 -59.78 2.73 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 114.332 1.234 . . . . 58.920000000000002 114.332 -178.173 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -58.01 -44.67 87.4 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.077 -0.965 . . . . 55.350000000000001 112.63 -179.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 37.5 m -58.52 -46.02 87.63 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 122.118 0.961 . . . . 57.280000000000001 108.509 179.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -53.05 -53.58 48.11 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 108.2 -1.037 . . . . 56.619999999999997 108.2 179.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' LEU . . . . . 0.477 ' O ' HG12 ' B' ' 24' ' ' VAL . 52.6 mt -64.4 -31.59 72.86 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 119.67 3.211 . . . . 46.399999999999999 119.67 -177.73 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LYS . . . . . 0.537 ' HE3' ' O ' ' B' ' 100' ' ' HOH . 5.2 mmtt -71.38 -31.59 67.49 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 107.528 -1.286 . . . . 61.920000000000002 107.528 -179.573 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -84.5 1.65 44.67 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 115.37 1.618 . . . . 50.75 115.37 -179.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 67.1 m -110.97 6.43 21.05 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.337 0.589 . . . . 48.240000000000002 110.849 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' VAL . . . . . 0.477 HG12 ' O ' ' B' ' 20' ' ' LEU . 4.9 p -146.27 152.52 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 115.059 -0.973 . . . . 49.590000000000003 110.148 -178.646 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 78.4 p -84.59 146.27 27.6 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.758 -1.201 . . . . 49.850000000000001 107.758 178.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -66.4 -27.24 67.7 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 119.777 -0.769 . . . . 64.260000000000005 110.963 -179.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 41.6 t -66.17 -35.03 74.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 119.475 -0.89 . . . . 46.520000000000003 108.81 178.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.46 -42.44 20.32 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 108.236 -1.024 . . . . 44.82 108.236 -179.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -55.65 -48.97 74.12 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.777 -0.823 . . . . 45.240000000000002 108.777 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -69.95 -22.22 63.19 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 120.48 -0.488 . . . . 49.950000000000003 111.677 -179.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 -73.6 -43.54 59.43 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 107.092 -1.447 . . . . 64.180000000000007 107.092 178.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -61.25 -41.85 97.62 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 124.831 1.252 . . . . 55.259999999999998 110.591 179.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 11.0 tp -63.76 -26.82 68.81 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 114.832 -1.076 . . . . 53.530000000000001 111.666 179.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.45 -51.2 12.25 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.072 0.949 . . . . 56.619999999999997 113.338 179.501 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 35' ' ' LEU . . . . . 0.587 ' O ' ' N ' ' B' ' 38' ' ' LYS . 13.5 mt -56.83 -36.55 70.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.725 -1.125 . . . . 59.5 111.233 179.652 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 36' ' ' TYR . . . . . 0.909 ' HE1' ' O ' ' B' ' 110' ' ' HOH . 23.7 t80 -41.58 -33.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.96 -0.564 . . . . 67.890000000000001 111.868 -179.822 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -71.87 -32.03 67.05 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.382 -0.97 . . . . 67.099999999999994 108.382 -179.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' B' ' 35' ' ' LEU . 36.0 ttmt -61.86 -43.57 98.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.394 -0.821 . . . . 64.239999999999995 109.767 179.23 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 39' ' ' TYR . . . . . 0.538 ' O ' ' C ' ' B' ' 40' ' ' ARG . 69.5 m-85 -97.07 -32.77 11.81 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 117.457 2.391 . . . . 63.420000000000002 117.457 -177.836 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ARG . . . . . 0.538 ' C ' ' O ' ' B' ' 39' ' ' TYR . 0.2 OUTLIER -12.73 -63.73 0.01 OUTLIER 'General case' 0 C--O 1.237 0.442 0 N-CA-C 113.726 1.01 . . . . 79.099999999999994 113.726 -178.673 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 41' ' ' TYR . . . . . 0.421 ' CD2' ' HD2' ' B' ' 40' ' ' ARG . 2.0 m-85 -102.23 28.0 6.23 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 118.151 2.649 . . . . 69.280000000000001 118.151 -177.694 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -100.67 136.36 40.67 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.788 0.804 . . . . 60.439999999999998 112.453 178.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' SER . . . . . 0.611 ' HA ' ' O ' ' A' ' 85' ' ' THR . 6.3 m -133.94 139.36 46.07 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 107.714 -1.217 . . . . 60.909999999999997 107.714 178.895 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 44' ' ' GLY . . . . . 0.49 ' O ' ' HA ' ' A' ' 84' ' ' THR . . . 131.25 -174.94 19.79 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.023 -0.831 . . . . 58.049999999999997 111.023 -178.185 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' LYS . . . . . 0.68 ' HG2' HG22 ' A' ' 84' ' ' THR . 15.7 mtmt -73.58 155.85 38.68 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 116.968 2.21 . . . . 56.310000000000002 116.968 -179.021 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 24.1 ptp -165.3 157.06 14.91 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 106.645 -1.613 . . . . 62.0 106.645 178.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -69.03 145.5 53.48 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 120.463 -0.495 . . . . 71.409999999999997 111.67 -179.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' THR . . . . . 0.61 ' HB ' ' O ' ' A' ' 98' ' ' HOH . 0.0 OUTLIER -47.89 -29.35 3.24 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 114.358 1.244 . . . . 66.609999999999999 114.358 -179.654 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.78 -33.87 60.18 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 110.09 -0.337 . . . . 58.829999999999998 110.09 -179.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.93 -30.58 62.64 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 108.599 -0.889 . . . . 55.590000000000003 108.599 179.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -63.95 -43.51 95.6 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.915 -0.402 . . . . 52.450000000000003 109.915 178.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ARG . . . . . 0.456 ' HG2' HD11 ' B' ' 7' ' ' LEU . 34.6 mtm-85 -63.0 -41.72 99.66 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.052 0.76 . . . . 78.700000000000003 113.052 -179.922 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' GLU . . . . . 0.701 ' HG3' ' O ' ' B' ' 108' ' ' HOH . 21.1 tt0 -66.53 -42.52 87.13 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 107.477 -1.305 . . . . 62.869999999999997 107.477 178.664 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' B' ' 57' ' ' SER . . . -59.86 -43.08 94.88 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.048 0.939 . . . . 49.759999999999998 112.406 179.751 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.27 77.65 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 122.627 0.371 . . . . 49.020000000000003 111.292 179.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 67.2 m -67.18 -36.73 82.38 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 108.285 -1.005 . . . . 52.310000000000002 108.285 179.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' SER . . . . . 0.526 ' HB2' ' O ' ' B' ' 107' ' ' HOH . 1.8 m -59.57 -45.8 90.8 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-N 116.032 -0.531 . . . . 54.240000000000002 110.477 179.882 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 58' ' ' GLN . . . . . 0.609 ' OE1' ' HB3' ' A' ' 87' ' ' PHE . 35.6 tt0 -66.96 -31.32 71.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.37 -0.832 . . . . 62.119999999999997 111.299 -179.954 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 14.7 tp -70.69 -37.21 73.58 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 107.306 -1.368 . . . . 48.090000000000003 107.306 179.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.3 -53.87 51.17 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.807 -0.442 . . . . 50.310000000000002 109.807 179.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -56.81 -45.15 82.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 56.369999999999997 111.809 179.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.63 -31.08 69.17 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.225 0.536 . . . . 49.0 110.717 -179.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 46.8 mtp -76.72 -42.89 39.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.045 -0.979 . . . . 57.079999999999998 113.632 -179.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' B' ' 105' ' ' HOH . 21.9 tp10 -69.02 -28.62 66.74 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 107.567 -1.271 . . . . 53.229999999999997 107.567 -179.702 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 24.0 m -64.57 -50.77 65.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 119.745 -0.782 . . . . 61.079999999999998 109.336 178.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' PHE . . . . . 0.54 ' O ' ' HB2' ' B' ' 69' ' ' ASN . 27.5 t80 -57.63 -43.1 84.57 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-O 120.97 0.414 . . . . 54.240000000000002 111.284 178.74 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -63.34 -30.14 71.33 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 114.26 1.207 . . . . 64.450000000000003 114.26 -178.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -106.25 31.35 5.21 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 123.819 1.771 . . . . 56.939999999999998 110.609 179.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' ASN . . . . . 0.67 ' O ' ' HB2' ' B' ' 70' ' ' ASN . 0.1 OUTLIER -110.69 -23.07 11.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 111.966 -2.379 . . . . 65.670000000000002 107.305 179.165 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 70' ' ' ASN . . . . . 0.67 ' HB2' ' O ' ' B' ' 69' ' ' ASN . 27.2 m120 86.68 45.29 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 106.907 -1.516 . . . . 66.730000000000004 106.907 -177.899 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.59 43.79 95.98 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 119.314 -1.422 . . . . 65.209999999999994 114.872 -179.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ASN . . . . . 0.493 ' HB2' ' OD1' ' B' ' 69' ' ' ASN . 3.7 m-20 -73.81 -128.59 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 103.08 -2.933 . . . . 68.719999999999999 103.08 176.597 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 73' ' ' ASP . . . . . 0.416 ' H ' ' HB3' ' B' ' 72' ' ' ASN . 66.3 m-20 -165.08 129.01 2.38 Favored 'General case' 0 CA--C 1.483 -1.626 0 N-CA-C 103.125 -2.917 . . . . 59.659999999999997 103.125 177.043 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -128.28 138.85 53.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 CA-C-O 123.161 1.457 . . . . 52.149999999999999 111.097 -179.644 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 49.2 tp -75.92 135.02 40.1 Favored 'General case' 0 N--CA 1.422 -1.865 0 CA-C-N 112.871 -1.968 . . . . 52.329999999999998 107.846 179.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' TYR . . . . . 0.441 ' HE1' ' HG2' ' B' ' 58' ' ' GLN . 82.6 t80 -121.19 119.23 31.74 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.845 0.831 . . . . 46.880000000000003 108.947 176.101 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 77' ' ' GLN . . . . . 0.467 ' O ' ' NE2' ' B' ' 58' ' ' GLN . 61.1 mt-30 -122.69 131.94 24.32 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 105.053 -2.203 . . . . 58.829999999999998 105.053 178.929 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -54.17 159.48 7.72 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 120.619 0.88 . . . . 47.789999999999999 110.026 179.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' PRO . . . . . 0.594 ' HB3' ' CD1' ' A' ' 87' ' ' PHE . 40.0 Cg_endo -65.45 142.48 72.18 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 113.762 -3.692 . . . . 54.740000000000002 110.418 179.33 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 80' ' ' THR . . . . . 0.993 ' O ' HG23 ' A' ' 85' ' ' THR . 43.6 m -43.57 134.07 4.24 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 114.506 1.298 . . . . 58.049999999999997 114.506 -179.389 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -134.59 116.31 14.87 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 115.989 1.848 . . . . 57.479999999999997 115.989 -178.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 3.1 t -116.17 105.32 12.46 Favored 'General case' 0 N--CA 1.454 -0.236 1 N-CA-C 99.616 -4.216 . . . . 56.170000000000002 99.616 177.385 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 83' ' ' VAL . . . . . 0.737 HG22 ' HG3' ' A' ' 46' ' ' MET . 0.8 OUTLIER -96.79 135.22 31.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.739 -0.664 . . . . 56.310000000000002 110.911 -177.847 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 84' ' ' THR . . . . . 0.854 HG22 ' OG ' ' A' ' 82' ' ' SER . 1.2 t -115.19 117.13 29.65 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 114.833 -1.076 . . . . 58.740000000000002 110.865 179.993 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 64.3 p -118.74 156.33 29.53 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 107.171 -1.418 . . . . 58.859999999999999 107.171 178.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m -131.4 111.25 11.66 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 119.997 -0.681 . . . . 59.920000000000002 111.6 178.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' PHE . . . . . 0.452 ' HA ' ' O ' ' A' ' 40' ' ' ARG . 7.6 m-85 45.92 38.48 4.54 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.846 -0.798 . . . . 63.640000000000001 108.846 179.241 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 88' ' ' LEU . . . . . 0.574 HD22 ' CG ' ' A' ' 79' ' ' PRO . 51.4 mt . . . . . 0 C--O 1.258 1.549 0 CA-C-N 115.781 -0.645 . . . . 63.630000000000003 110.584 -178.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HOH . . . . . 0.563 ' O ' ' HB2' ' A' ' 22' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . 0.414 ' O ' HD22 ' A' ' 88' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . 0.61 ' O ' ' HB ' ' B' ' 48' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . 0.528 ' O ' ' HB2' ' A' ' 69' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . 0.432 ' O ' ' HB2' ' A' ' 37' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . 0.888 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' B' B ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 99' ' ' HOH . . . . . 0.732 ' O ' ' HG3' ' B' ' 3' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' HOH . . . . . 0.537 ' O ' ' HE3' ' B' ' 21' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . 0.515 ' O ' ' HA ' ' B' ' 70' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.41 ' O ' ' HG2' ' B' ' 64' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . 0.526 ' O ' ' HB2' ' B' ' 57' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . 0.701 ' O ' ' HG3' ' B' ' 53' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . 0.785 ' O ' ' HB ' ' B' ' 84' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . 0.909 ' O ' ' HE1' ' B' ' 36' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . 0.421 ' O ' ' NH1' ' B' ' 40' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . 0.468 ' O ' ' ND2' ' B' ' 69' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . 0.491 ' O ' ' CZ ' ' B' ' 40' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 113.462 0.912 . . . . 62.46 113.462 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' THR . . . . . 0.562 HG21 ' HE2' ' A' ' 19' ' ' LYS . 11.9 m -20.14 -59.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 116.925 2.194 . . . . 60.58 116.925 -179.449 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -51.24 -57.2 9.45 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.97 0.73 . . . . 55.47 112.97 -177.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.614 ' OE2' ' NH1' ' A' ' 52' ' ' ARG . 18.3 tt0 -66.77 -43.21 84.65 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 114.496 1.295 . . . . 73.54 114.496 -179.479 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -50.91 -51.32 53.17 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 108.166 -1.05 . . . . 72.45 108.166 179.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' MET . . . . . 0.607 ' HE3' HD21 ' A' ' 20' ' ' LEU . 1.2 mtm -68.52 -31.42 70.65 Favored 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 115.352 1.612 . . . . 61.73 115.352 -179.094 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.96 -15.92 15.32 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.005 -1.109 . . . . 53.97 108.005 178.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.2 mt -91.85 -7.49 49.21 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 114.714 1.375 . . . . 51.54 114.714 -179.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 p -116.59 162.74 17.16 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 113.149 0.796 . . . . 52.38 113.149 -178.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' THR . . . . . 0.486 ' OG1' ' HG2' ' A' ' 77' ' ' GLN . 2.9 m -99.68 122.75 43.15 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 107.841 -1.17 . . . . 51.26 107.841 178.288 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -151.26 159.23 44.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.39 0.614 . . . . 47.63 111.241 -179.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.5 tpp -88.84 123.53 33.31 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 106.444 -1.687 . . . . 51.44 106.444 -179.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.8 mt -78.92 120.24 29.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.286 -0.635 . . . . 53.03 109.286 -179.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.4 p -123.89 169.48 11.54 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.638 -0.875 . . . . 53.58 108.638 178.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.75 -38.78 16.19 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.553 -0.536 . . . . 62.93 109.553 179.18 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -73.74 -33.21 64.21 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 116.048 1.87 . . . . 57.15 116.048 -178.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 99.6 p -87.12 -24.48 24.51 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 119.238 -0.985 . . . . 57.04 110.34 179.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.471 ' C ' ' O ' ' A' ' 101' ' ' HOH . 87.5 t80 -62.95 -66.17 0.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 103.393 -2.817 . . . . 53.91 103.393 177.657 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 m -46.34 -53.53 10.71 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 116.123 1.897 . . . . 54.82 116.123 -179.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.562 ' HE2' HG21 ' A' ' 1' ' ' THR . 66.9 tttt -52.57 -45.38 66.43 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 118.344 -1.342 . . . . 55.87 108.194 179.293 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.607 HD21 ' HE3' ' A' ' 5' ' ' MET . 71.5 mt -63.73 -42.98 97.8 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.991 1.108 . . . . 53.09 113.991 -178.978 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.888 ' HB2' ' O ' ' A' ' 101' ' ' HOH . 13.9 mmtt -64.08 -41.78 97.19 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 114.268 1.21 . . . . 58.84 114.268 -179.633 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.563 ' HB2' ' O ' ' A' ' 93' ' ' HOH . 4.8 m120 -62.98 -38.36 90.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.426 0.631 . . . . 65.66 111.942 -179.296 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.3 m -62.98 -38.06 89.62 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 114.021 1.119 . . . . 60.49 114.021 -178.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.759 HG13 ' HB3' ' A' ' 28' ' ' ALA . 2.6 t -101.47 138.91 24.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 115.985 1.846 . . . . 57.54 115.985 -176.093 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.7 p -69.19 154.84 41.39 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.005 -1.109 . . . . 54.0 108.005 178.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.89 -41.04 86.21 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 121.242 0.544 . . . . 65.44 109.713 -179.758 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.7 t -54.16 -45.16 66.28 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 114.543 -1.208 . . . . 50.94 110.997 178.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.759 ' HB3' HG13 ' A' ' 24' ' ' VAL . . . -68.43 -54.13 19.08 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.767 -0.651 . . . . 49.34 109.992 179.827 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -53.76 -50.17 66.6 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-O 122.244 1.021 . . . . 43.69 110.791 -179.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -66.8 -38.12 85.88 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 118.681 -1.207 . . . . 51.7 111.836 -178.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.406 ' O ' ' HB3' ' A' ' 34' ' ' SER . 31.1 ttt-85 -54.55 -53.06 59.48 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 107.13 -1.433 . . . . 78.52 107.13 178.586 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -54.8 -56.91 14.25 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 115.142 -0.935 . . . . 51.26 110.286 179.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.9 tp -47.44 -41.65 20.78 Favored 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 107.159 -1.423 . . . . 51.3 107.159 179.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' ' 31' ' ' ARG . 46.5 t -68.76 -35.12 76.67 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.136 -0.938 . . . . 52.41 112.748 -178.954 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 56.4 mt -73.89 -8.71 57.08 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.568 -0.853 . . . . 49.26 110.712 179.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' TYR . . . . . 1.022 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 73.0 t80 -60.19 -39.51 86.79 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 106.088 -1.819 . . . . 58.65 106.088 178.743 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.911 ' HA ' ' HD2' ' A' ' 40' ' ' ARG . 3.1 m120 -63.01 -10.74 15.0 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 115.0 1.482 . . . . 65.8 115.0 -179.65 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -95.39 -51.8 4.42 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 121.824 0.821 . . . . 56.25 111.163 178.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -74.78 -29.45 61.12 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 115.577 1.695 . . . . 51.35 115.577 -178.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ARG . . . . . 1.022 ' HG2' ' O ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -53.12 -26.78 17.79 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.483 -0.932 . . . . 62.53 108.483 178.232 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.834 ' CZ ' ' HD3' ' A' ' 40' ' ' ARG . 13.8 m-85 -107.66 -2.91 19.73 Favored 'General case' 0 CA--C 1.505 -0.777 0 N-CA-C 114.218 1.192 . . . . 63.2 114.218 -177.76 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -75.09 132.94 41.61 Favored 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 118.495 -1.282 . . . . 60.06 108.392 -179.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.8 t -141.64 96.06 2.92 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 122.131 0.967 . . . . 57.9 108.911 178.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 154.15 -166.65 32.13 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 119.853 -1.165 . . . . 57.97 114.533 -179.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -70.08 138.37 51.98 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 114.343 1.238 . . . . 64.5 114.343 -179.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' MET . . . . . 0.737 ' HG3' HG22 ' B' ' 83' ' ' VAL . 5.4 ptp -147.81 157.94 43.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 102.931 -2.989 . . . . 60.73 102.931 178.014 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -88.69 176.37 7.13 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.583 -1.266 . . . . 67.1 107.583 179.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 98.9 m -52.5 -42.78 64.59 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 119.268 3.062 . . . . 52.93 119.268 -178.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.59 -35.22 78.56 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.311 0.577 . . . . 47.11 111.623 -179.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.62 -47.67 71.91 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 107.796 -1.187 . . . . 46.09 107.796 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.53 ' HB2' HG21 ' B' ' 83' ' ' VAL . 86.9 t80 -58.62 -36.63 74.37 Favored 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 120.075 -0.65 . . . . 47.28 110.002 178.445 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.614 ' NH1' ' OE2' ' A' ' 3' ' ' GLU . 53.6 mtt-85 -66.39 -42.86 87.26 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.924 -0.31 . . . . 71.5 111.501 179.111 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -67.32 -30.6 70.48 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 108.483 -0.932 . . . . 52.32 108.483 178.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.9 86.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.339 -0.846 . . . . 44.86 111.04 179.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.33 -29.82 67.73 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.67 -0.696 . . . . 44.7 110.507 -179.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 97.4 m -71.67 -45.9 60.52 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.094 -0.503 . . . . 47.65 109.713 178.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.5 p -58.96 -34.17 71.48 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 109.375 -0.602 . . . . 47.35 109.375 179.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -34.52 72.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.562 -0.745 . . . . 58.16 112.292 179.229 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.1 tp -78.15 -39.57 40.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.204 0.526 . . . . 45.55 109.996 179.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.17 -43.21 78.16 Favored 'General case' 0 CA--C 1.509 -0.603 0 N-CA-C 106.874 -1.528 . . . . 48.36 106.874 179.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.546 ' HD3' ' CD2' ' A' ' 36' ' ' TYR . 14.2 tptt -65.41 -46.1 81.34 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 114.527 -1.215 . . . . 56.59 111.301 -179.12 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.92 -34.6 74.93 Favored 'General case' 0 C--O 1.247 0.954 0 CA-C-O 120.945 0.402 . . . . 44.98 111.141 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 81.5 mtp -67.51 -40.56 85.13 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 109.287 -0.635 . . . . 46.38 109.287 178.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.535 ' OE1' ' CE1' ' A' ' 68' ' ' HIS . 14.5 tp10 -70.42 -33.26 71.13 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 107.85 -1.166 . . . . 44.45 107.85 179.818 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.6 m -69.16 -34.66 75.33 Favored 'General case' 0 C--O 1.222 -0.36 0 N-CA-C 107.48 -1.304 . . . . 44.86 107.48 177.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.585 ' HD1' HG12 ' A' ' 74' ' ' VAL . 90.1 t80 -65.26 -59.74 3.74 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.989 -1.115 . . . . 50.17 107.989 179.448 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -48.19 -42.23 29.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.701 -1.136 . . . . 56.64 113.093 -179.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.535 ' CE1' ' OE1' ' A' ' 64' ' ' GLU . 32.6 m170 -90.31 18.55 5.95 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 120.287 3.439 . . . . 56.37 120.287 -177.96 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' A' ' 99' ' ' HOH . 9.1 m-80 -131.31 30.17 4.52 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.31 -1.737 . . . . 54.01 106.31 177.209 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 63.18 29.57 16.02 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 112.588 -2.096 . . . . 53.68 114.918 176.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.57 15.49 81.31 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 117.497 1.759 . . . . 54.9 117.497 177.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -67.72 146.16 54.04 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 103.452 -2.796 . . . . 64.51 103.452 177.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -55.52 137.27 49.01 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.622 -0.831 . . . . 66.04 110.639 179.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.585 HG12 ' HD1' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -135.67 123.82 37.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 N-CA-C 102.789 -3.041 . . . . 50.28 102.789 176.216 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.0 tp -76.81 120.83 22.51 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.01 -0.996 . . . . 49.42 112.407 -178.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -89.67 140.01 29.99 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 106.784 -1.562 . . . . 45.74 106.784 177.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.486 ' HG2' ' OG1' ' A' ' 9' ' ' THR . 37.9 mt-30 -146.44 125.84 6.64 Favored Pre-proline 0 CA--C 1.504 -0.809 0 O-C-N 123.672 0.608 . . . . 57.57 110.4 178.92 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -56.29 155.46 24.77 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 117.718 -1.055 . . . . 50.19 111.655 179.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.574 ' CG ' HD22 ' B' ' 88' ' ' LEU . 77.8 Cg_exo -59.78 127.56 23.93 Favored 'Trans proline' 0 CA--C 1.512 -0.615 0 C-N-CA 123.176 2.584 . . . . 50.42 108.252 179.653 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.83 132.72 50.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.478 -0.934 . . . . 52.6 108.478 179.415 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.438 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . . . -144.52 152.31 40.39 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 115.492 1.664 . . . . 55.42 115.492 -179.887 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' SER . . . . . 0.854 ' OG ' HG22 ' B' ' 84' ' ' THR . 39.5 p -128.84 126.74 40.45 Favored 'General case' 0 CA--C 1.506 -0.719 0 N-CA-C 104.6 -2.37 . . . . 58.35 104.6 178.705 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.88 126.31 67.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.616 -0.72 . . . . 52.77 109.745 179.214 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' THR . . . . . 0.68 HG22 ' HG2' ' B' ' 45' ' ' LYS . 2.8 p -91.65 130.35 37.47 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 102.854 -3.017 . . . . 53.91 102.854 177.743 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' THR . . . . . 0.993 HG23 ' O ' ' B' ' 80' ' ' THR . 0.7 OUTLIER -130.38 164.13 25.38 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 118.26 2.689 . . . . 54.89 118.26 -174.212 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' SER . . . . . 0.401 ' N ' HG22 ' A' ' 85' ' ' THR . 0.0 OUTLIER -156.22 143.11 18.84 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 100.728 -3.804 . . . . 53.07 100.728 176.592 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.686 ' HB3' ' O ' ' B' ' 110' ' ' HOH . 3.6 m-85 -106.92 -177.97 3.51 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 116.791 2.145 . . . . 56.27 116.791 -175.961 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.457 HD21 ' HB2' ' B' ' 77' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--O 1.261 1.658 0 N-CA-C 113.144 0.794 . . . . 62.69 113.144 178.305 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' SER . . . . . 0.576 ' O ' ' HG3' ' B' ' 4' ' ' GLU . 51.0 m . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.395 -0.594 . . . . 58.04 109.395 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' THR . . . . . 0.429 ' O ' ' HG2' ' B' ' 5' ' ' MET . 6.5 m -62.17 -49.76 74.55 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 112.561 0.578 . . . . 53.82 112.561 -179.104 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.643 ' HB3' ' O ' ' B' ' 99' ' ' HOH . 53.4 t80 -54.58 -66.73 0.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.121 0.786 . . . . 48.37 113.121 -179.638 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.732 ' HG3' ' O ' ' B' ' 99' ' ' HOH . 0.3 OUTLIER -58.26 -33.63 69.6 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 120.643 -0.423 . . . . 70.95 110.093 -179.7 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' B' ' 0' ' ' SER . 48.2 mt-10 -60.64 -48.66 80.81 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.62 -0.882 . . . . 64.57 108.62 178.31 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' MET . . . . . 0.429 ' HG2' ' O ' ' B' ' 1' ' ' THR . 24.5 mmm -63.47 -33.76 76.29 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.13 -0.941 . . . . 63.04 113.495 179.945 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.16 -5.2 20.97 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.716 -0.475 . . . . 51.89 109.716 179.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.456 HD11 ' HG2' ' B' ' 52' ' ' ARG . 99.0 mt -114.05 26.14 10.56 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.497 0.665 . . . . 51.54 111.209 179.535 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.4 p -145.24 154.37 42.31 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 115.132 -0.94 . . . . 53.26 109.691 179.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.3 m -95.11 133.19 39.2 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 108.324 -0.991 . . . . 50.49 108.324 179.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -170.23 169.95 7.5 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.896 0.747 . . . . 47.0 111.145 -179.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 8.5 mmt -89.52 137.21 32.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.034 -0.53 . . . . 56.47 111.218 -179.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 10.7 mm -93.12 115.75 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 102.739 -3.06 . . . . 53.03 102.739 177.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' THR . . . . . 0.711 ' H ' ' HB3' ' B' ' 16' ' ' SER . 37.6 p -132.06 -173.46 3.15 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.691 0.757 . . . . 54.94 110.793 -178.42 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -50.85 -67.75 0.23 Allowed 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.025 -1.102 . . . . 67.11 108.025 177.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -51.18 -56.84 10.76 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.513 0.673 . . . . 70.07 111.138 179.25 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' SER . . . . . 0.711 ' HB3' ' H ' ' B' ' 13' ' ' THR . 1.3 t -46.34 -59.78 2.73 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 114.332 1.234 . . . . 58.92 114.332 -178.173 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -58.01 -44.67 87.4 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.077 -0.965 . . . . 55.35 112.63 -179.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 37.5 m -58.52 -46.02 87.63 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 122.118 0.961 . . . . 57.28 108.509 179.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -53.05 -53.58 48.11 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 108.2 -1.037 . . . . 56.62 108.2 179.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.477 ' O ' HG12 ' B' ' 24' ' ' VAL . 52.6 mt -64.4 -31.59 72.86 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 119.67 3.211 . . . . 46.4 119.67 -177.73 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.537 ' HE3' ' O ' ' B' ' 100' ' ' HOH . 5.2 mmtt -71.38 -31.59 67.49 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 107.528 -1.286 . . . . 61.92 107.528 -179.573 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -84.5 1.65 44.67 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 115.37 1.618 . . . . 50.75 115.37 -179.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 67.1 m -110.97 6.43 21.05 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.337 0.589 . . . . 48.24 110.849 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.477 HG12 ' O ' ' B' ' 20' ' ' LEU . 4.9 p -146.27 152.52 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 115.059 -0.973 . . . . 49.59 110.148 -178.646 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 78.4 p -84.59 146.27 27.6 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.758 -1.201 . . . . 49.85 107.758 178.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -66.4 -27.24 67.7 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 119.777 -0.769 . . . . 64.26 110.963 -179.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 41.6 t -66.17 -35.03 74.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 119.475 -0.89 . . . . 46.52 108.81 178.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.46 -42.44 20.32 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 108.236 -1.024 . . . . 44.82 108.236 -179.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -55.65 -48.97 74.12 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.777 -0.823 . . . . 45.24 108.777 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -69.95 -22.22 63.19 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 120.48 -0.488 . . . . 49.95 111.677 -179.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 -73.6 -43.54 59.43 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 107.092 -1.447 . . . . 64.18 107.092 178.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -61.25 -41.85 97.62 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 124.831 1.252 . . . . 55.26 110.591 179.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 11.0 tp -63.76 -26.82 68.81 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 114.832 -1.076 . . . . 53.53 111.666 179.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.45 -51.2 12.25 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.072 0.949 . . . . 56.62 113.338 179.501 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.587 ' O ' ' N ' ' B' ' 38' ' ' LYS . 13.5 mt -56.83 -36.55 70.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.725 -1.125 . . . . 59.5 111.233 179.652 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' TYR . . . . . 0.909 ' HE1' ' O ' ' B' ' 110' ' ' HOH . 23.7 t80 -41.58 -33.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.96 -0.564 . . . . 67.89 111.868 -179.822 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -71.87 -32.03 67.05 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.382 -0.97 . . . . 67.1 108.382 -179.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' B' ' 35' ' ' LEU . 36.0 ttmt -61.86 -43.57 98.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.394 -0.821 . . . . 64.24 109.767 179.23 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.538 ' O ' ' C ' ' B' ' 40' ' ' ARG . 69.5 m-85 -97.07 -32.77 11.81 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 117.457 2.391 . . . . 63.42 117.457 -177.836 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.538 ' C ' ' O ' ' B' ' 39' ' ' TYR . 0.2 OUTLIER -12.73 -63.73 0.01 OUTLIER 'General case' 0 C--O 1.237 0.442 0 N-CA-C 113.726 1.01 . . . . 79.1 113.726 -178.673 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' TYR . . . . . 0.421 ' CD2' ' HD2' ' B' ' 40' ' ' ARG . 2.0 m-85 -102.23 28.0 6.23 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 118.151 2.649 . . . . 69.28 118.151 -177.694 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -100.67 136.36 40.67 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.788 0.804 . . . . 60.44 112.453 178.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' SER . . . . . 0.611 ' HA ' ' O ' ' A' ' 85' ' ' THR . 6.3 m -133.94 139.36 46.07 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 107.714 -1.217 . . . . 60.91 107.714 178.895 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' GLY . . . . . 0.49 ' O ' ' HA ' ' A' ' 84' ' ' THR . . . 131.25 -174.94 19.79 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.023 -0.831 . . . . 58.05 111.023 -178.185 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.68 ' HG2' HG22 ' A' ' 84' ' ' THR . 15.7 mtmt -73.58 155.85 38.68 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 116.968 2.21 . . . . 56.31 116.968 -179.021 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 24.1 ptp -165.3 157.06 14.91 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 106.645 -1.613 . . . . 62.0 106.645 178.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -69.03 145.5 53.48 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 120.463 -0.495 . . . . 71.41 111.67 -179.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' THR . . . . . 0.61 ' HB ' ' O ' ' A' ' 98' ' ' HOH . 0.0 OUTLIER -47.89 -29.35 3.24 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 114.358 1.244 . . . . 66.61 114.358 -179.654 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.78 -33.87 60.18 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 110.09 -0.337 . . . . 58.83 110.09 -179.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.93 -30.58 62.64 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 108.599 -0.889 . . . . 55.59 108.599 179.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -63.95 -43.51 95.6 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.915 -0.402 . . . . 52.45 109.915 178.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.456 ' HG2' HD11 ' B' ' 7' ' ' LEU . 34.6 mtm-85 -63.0 -41.72 99.66 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.052 0.76 . . . . 78.7 113.052 -179.922 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.701 ' HG3' ' O ' ' B' ' 108' ' ' HOH . 21.1 tt0 -66.53 -42.52 87.13 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 107.477 -1.305 . . . . 62.87 107.477 178.664 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' B' ' 57' ' ' SER . . . -59.86 -43.08 94.88 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.048 0.939 . . . . 49.76 112.406 179.751 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.27 77.65 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 122.627 0.371 . . . . 49.02 111.292 179.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 67.2 m -67.18 -36.73 82.38 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 108.285 -1.005 . . . . 52.31 108.285 179.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' SER . . . . . 0.526 ' HB2' ' O ' ' B' ' 107' ' ' HOH . 1.8 m -59.57 -45.8 90.8 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-N 116.032 -0.531 . . . . 54.24 110.477 179.882 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' GLN . . . . . 0.609 ' OE1' ' HB3' ' A' ' 87' ' ' PHE . 35.6 tt0 -66.96 -31.32 71.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.37 -0.832 . . . . 62.12 111.299 -179.954 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 14.7 tp -70.69 -37.21 73.58 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 107.306 -1.368 . . . . 48.09 107.306 179.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.3 -53.87 51.17 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.807 -0.442 . . . . 50.31 109.807 179.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -56.81 -45.15 82.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 56.37 111.809 179.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.63 -31.08 69.17 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.225 0.536 . . . . 49.0 110.717 -179.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 46.8 mtp -76.72 -42.89 39.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.045 -0.979 . . . . 57.08 113.632 -179.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.729 ' OE1' ' HE1' ' B' ' 68' ' ' HIS . 21.9 tp10 -69.02 -28.62 66.74 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 107.567 -1.271 . . . . 53.23 107.567 -179.702 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 24.0 m -64.57 -50.77 65.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 119.745 -0.782 . . . . 61.08 109.336 178.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.54 ' O ' ' HB2' ' B' ' 69' ' ' ASN . 27.5 t80 -57.63 -43.1 84.57 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-O 120.97 0.414 . . . . 54.24 111.284 178.74 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -63.34 -30.14 71.33 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 114.26 1.207 . . . . 64.45 114.26 -178.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.729 ' HE1' ' OE1' ' B' ' 64' ' ' GLU . 41.6 m80 -106.25 31.35 5.21 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 123.819 1.771 . . . . 56.94 110.609 179.537 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.863 HD22 ' HB2' ' B' ' 72' ' ' ASN . 0.9 OUTLIER -110.69 -23.07 11.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 111.966 -2.379 . . . . 65.67 107.305 179.165 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' ASN . . . . . 0.67 ' HB2' ' O ' ' B' ' 69' ' ' ASN . 27.2 m120 86.68 45.29 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 106.907 -1.516 . . . . 66.73 106.907 -177.899 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.59 43.79 95.98 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 119.314 -1.422 . . . . 65.21 114.872 -179.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ASN . . . . . 0.863 ' HB2' HD22 ' B' ' 69' ' ' ASN . 0.5 OUTLIER -73.81 -128.59 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 103.08 -2.933 . . . . 68.72 103.08 176.597 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' ASP . . . . . 0.416 ' H ' ' HB3' ' B' ' 72' ' ' ASN . 66.3 m-20 -165.08 129.01 2.38 Favored 'General case' 0 CA--C 1.483 -1.626 0 N-CA-C 103.125 -2.917 . . . . 59.66 103.125 177.043 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -128.28 138.85 53.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 CA-C-O 123.161 1.457 . . . . 52.15 111.097 -179.644 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 49.2 tp -75.92 135.02 40.1 Favored 'General case' 0 N--CA 1.422 -1.865 0 CA-C-N 112.871 -1.968 . . . . 52.33 107.846 179.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' TYR . . . . . 0.441 ' HE1' ' HG2' ' B' ' 58' ' ' GLN . 82.6 t80 -121.19 119.23 31.74 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.845 0.831 . . . . 46.88 108.947 176.101 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.467 ' O ' ' NE2' ' B' ' 58' ' ' GLN . 61.1 mt-30 -122.69 131.94 24.32 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 105.053 -2.203 . . . . 58.83 105.053 178.929 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -54.17 159.48 7.72 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 120.619 0.88 . . . . 47.79 110.026 179.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.594 ' HB3' ' CD1' ' A' ' 87' ' ' PHE . 40.0 Cg_endo -65.45 142.48 72.18 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 113.762 -3.692 . . . . 54.74 110.418 179.33 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' THR . . . . . 0.993 ' O ' HG23 ' A' ' 85' ' ' THR . 43.6 m -43.57 134.07 4.24 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 114.506 1.298 . . . . 58.05 114.506 -179.389 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -134.59 116.31 14.87 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 115.989 1.848 . . . . 57.48 115.989 -178.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 3.1 t -116.17 105.32 12.46 Favored 'General case' 0 N--CA 1.454 -0.236 1 N-CA-C 99.616 -4.216 . . . . 56.17 99.616 177.385 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.737 HG22 ' HG3' ' A' ' 46' ' ' MET . 0.8 OUTLIER -96.79 135.22 31.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.739 -0.664 . . . . 56.31 110.911 -177.847 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' THR . . . . . 0.854 HG22 ' OG ' ' A' ' 82' ' ' SER . 1.2 t -115.19 117.13 29.65 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 114.833 -1.076 . . . . 58.74 110.865 179.993 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 64.3 p -118.74 156.33 29.53 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 107.171 -1.418 . . . . 58.86 107.171 178.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m -131.4 111.25 11.66 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 119.997 -0.681 . . . . 59.92 111.6 178.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.452 ' HA ' ' O ' ' A' ' 40' ' ' ARG . 7.6 m-85 45.92 38.48 4.54 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.846 -0.798 . . . . 63.64 108.846 179.241 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.574 HD22 ' CG ' ' A' ' 79' ' ' PRO . 51.4 mt . . . . . 0 C--O 1.258 1.549 0 CA-C-N 115.781 -0.645 . . . . 63.63 110.584 -178.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HOH . . . . . 0.563 ' O ' ' HB2' ' A' ' 22' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . 0.414 ' O ' HD22 ' A' ' 88' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . 0.61 ' O ' ' HB ' ' B' ' 48' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . 0.528 ' O ' ' HB2' ' A' ' 69' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . 0.432 ' O ' ' HB2' ' A' ' 37' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . 0.888 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' B' B ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' HOH . . . . . 0.732 ' O ' ' HG3' ' B' ' 3' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' HOH . . . . . 0.537 ' O ' ' HE3' ' B' ' 21' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . 0.515 ' O ' ' HA ' ' B' ' 70' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.41 ' O ' ' HG2' ' B' ' 64' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . 0.526 ' O ' ' HB2' ' B' ' 57' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . 0.701 ' O ' ' HG3' ' B' ' 53' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . 0.785 ' O ' ' HB ' ' B' ' 84' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . 0.909 ' O ' ' HE1' ' B' ' 36' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . 0.421 ' O ' ' NH1' ' B' ' 40' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . 0.491 ' O ' ' CZ ' ' B' ' 40' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_