data_4gjg_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 4gjg _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 ptt? . . . . . 0 N--CA 1.509 2.519 0 N-CA-C 120.063 3.357 . . . . 68.31 120.063 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ASN . . . . . 0.527 ' OD1' ' C ' ' A' ' 2' ' ' ASN . 0.2 OUTLIER -63.66 151.57 41.42 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 107.91 -1.145 . . . . 57.52 107.91 -173.299 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 2' ' ' ASN . . . -93.39 -25.5 17.66 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.682 0.753 . . . . 55.03 110.91 -161.636 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . 0.577 ' O ' ' N ' ' A' ' 7' ' ' ALA . . . -61.9 -54.81 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.001 0 N-CA-C 106.689 -1.597 . . . . 55.97 106.689 166.065 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' TYR . . . . . 0.515 ' OH ' ' O ' ' A' ' 64' ' ' VAL . 9.4 m-30 -55.3 -31.8 61.93 Favored 'General case' 0 CA--C 1.503 -0.844 0 N-CA-C 103.304 -2.85 . . . . 53.78 103.304 -176.3 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -59.81 -30.99 69.3 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 119.808 -0.757 . . . . 68.3 112.603 177.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . 0.577 ' N ' ' O ' ' A' ' 4' ' ' ILE . . . -68.94 -32.42 72.0 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.817 1.043 . . . . 52.47 113.817 174.775 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.41 -52.73 9.3 Favored 'General case' 0 C--O 1.201 -1.455 0 N-CA-C 109.091 -0.707 . . . . 46.97 109.091 173.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 64.6 t -62.47 -28.58 44.98 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 N-CA-C 115.195 1.554 . . . . 48.78 115.195 -170.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -63.21 -14.37 48.36 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.386 0.612 . . . . 65.85 112.551 177.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -73.45 -24.66 60.26 Favored 'General case' 0 N--CA 1.433 -1.318 0 CA-C-O 119.14 -0.457 . . . . 54.58 111.915 177.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.9 mt -88.32 141.38 28.6 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.23 0.456 . . . . 41.41 112.23 -171.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.0 p -79.92 169.35 18.02 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 107.836 -1.172 . . . . 42.47 107.836 173.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -67.56 -37.98 83.47 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.5 0.556 . . . . 53.68 112.5 178.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -55.0 -47.52 74.53 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 121.774 0.797 . . . . 51.59 109.306 171.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -59.65 -49.53 77.39 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.581 -0.848 . . . . 38.13 112.239 178.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -61.49 -39.58 91.44 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 118.635 -1.226 . . . . 52.58 111.097 -177.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -67.82 -42.97 80.68 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 115.425 1.639 . . . . 53.83 115.425 176.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -59.29 -41.93 90.1 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 123.541 0.525 . . . . 61.42 110.965 173.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -69.46 -36.87 77.0 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 119.951 -0.7 . . . . 33.92 110.498 -177.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -66.97 -39.9 87.31 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.787 -0.642 . . . . 54.13 111.565 179.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.85 -36.02 80.0 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 120.036 -0.665 . . . . 32.79 111.313 174.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.27 -44.31 63.0 Favored 'General case' 0 CA--C 1.512 -0.491 0 O-C-N 121.55 -0.719 . . . . 30.39 112.168 -179.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -57.87 -39.35 77.59 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.862 0.839 . . . . 29.62 110.704 177.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -67.06 -18.88 65.54 Favored 'General case' 0 C--O 1.207 -1.133 0 N-CA-C 114.561 1.319 . . . . 37.75 114.561 -176.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.5 mm -66.35 -27.54 40.8 Favored 'Isoleucine or valine' 0 C--O 1.249 1.076 0 O-C-N 121.835 -0.541 . . . . 39.28 109.567 177.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -100.29 12.67 36.57 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.249 1.203 . . . . 32.69 114.249 -171.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.1 pt -134.32 149.77 30.31 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 C-N-CA 120.46 -0.496 . . . . 35.92 110.133 175.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.02 97.37 3.38 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 108.152 -1.055 . . . . 45.54 108.152 163.646 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ASP . . . . . 0.807 ' OD1' ' O ' ' A' ' 218' ' ' HOH . 2.7 m-20 -42.37 -36.49 1.29 Allowed 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 124.695 1.198 . . . . 52.01 111.847 -171.958 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.88 -13.52 57.46 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.673 -0.694 . . . . 42.74 111.491 -167.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . 0.794 ' OE1' ' C2 ' ' A' ' 112' ' ' GOL . 3.4 pt-20 -145.46 -0.65 0.84 Allowed 'General case' 0 C--O 1.198 -1.64 0 N-CA-C 116.895 2.183 . . . . 58.76 116.895 -169.048 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -139.37 135.85 34.13 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 119.195 -1.002 . . . . 31.98 111.271 -173.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -105.09 -9.16 34.86 Favored Glycine 0 N--CA 1.477 1.369 0 N-CA-C 114.304 0.482 . . . . 29.14 114.304 179.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.3 p -132.92 149.09 52.27 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-O 122.164 0.983 . . . . 28.52 112.664 -170.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.4 pt -100.4 162.02 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.803 0 CA-C-N 115.468 -0.787 . . . . 26.5 109.823 170.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 94.0 p -82.7 171.49 13.94 Favored 'General case' 0 CA--C 1.491 -1.29 0 C-N-CA 119.456 -0.897 . . . . 36.57 108.766 -179.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.0 p -71.25 -26.64 62.99 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 111.65 0.241 . . . . 44.46 111.65 -177.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . . . -68.41 -39.25 81.68 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 121.398 -0.813 . . . . 46.46 113.077 169.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -68.73 -23.19 64.31 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 113.766 1.024 . . . . 33.83 113.766 176.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.4 tp -61.2 -45.67 93.61 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 120.211 -0.596 . . . . 33.37 111.364 -177.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.63 -42.5 94.23 Favored Glycine 0 N--CA 1.474 1.196 0 N-CA-C 108.555 -1.818 . . . . 28.36 108.555 177.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -60.99 -49.87 75.67 Favored 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 114.154 1.168 . . . . 46.09 114.154 -178.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.8 t -61.49 -39.4 82.81 Favored 'Isoleucine or valine' 0 C--O 1.246 0.886 0 C-N-CA 120.197 -0.601 . . . . 35.07 112.41 176.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 96.6 mtp -65.2 -39.14 92.43 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 118.48 -1.288 . . . . 32.23 111.512 -179.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.3 mtm-85 -69.66 -31.84 70.15 Favored 'General case' 0 C--O 1.214 -0.791 0 CA-C-N 115.585 -0.734 . . . . 50.71 109.366 179.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 9.8 ttt -65.01 -22.49 67.01 Favored 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 119.554 -0.858 . . . . 48.49 111.287 176.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.5 mt -102.26 14.81 30.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.808 -0.557 . . . . 35.34 110.783 177.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.23 13.29 68.81 Favored Glycine 0 N--CA 1.468 0.798 0 N-CA-C 116.014 1.165 . . . . 33.11 116.014 173.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -95.79 158.01 15.64 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 107.719 -1.215 . . . . 34.3 107.719 177.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -132.53 66.28 76.46 Favored Pre-proline 0 C--O 1.216 -0.703 0 C-N-CA 119.915 -0.714 . . . . 52.54 111.782 179.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.29 152.4 71.75 Favored 'Trans proline' 0 C--N 1.322 -0.866 0 C-N-CA 118.021 -0.853 . . . . 35.44 111.334 -174.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.3 p -87.0 154.98 55.46 Favored Pre-proline 0 N--CA 1.453 -0.282 0 N-CA-C 109.141 -0.689 . . . . 46.47 109.141 175.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -57.38 -39.07 92.25 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 N-CA-C 113.756 0.637 . . . . 46.19 113.756 173.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . . . -63.16 -37.77 88.55 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.844 1.202 . . . . 44.1 111.884 175.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -60.12 -48.44 81.69 Favored 'General case' 0 C--O 1.209 -1.071 0 N-CA-C 113.043 0.757 . . . . 37.67 113.043 171.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.83 -39.74 86.12 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.358 0.526 . . . . 38.91 111.267 -177.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -63.75 -48.74 75.76 Favored 'General case' 0 C--O 1.251 1.144 0 C-N-CA 120.58 -0.448 . . . . 46.89 111.231 178.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -55.53 -48.43 74.7 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.987 -0.552 . . . . 63.01 111.348 176.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 36.2 mtm -62.36 -44.82 95.58 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.561 -0.856 . . . . 44.18 111.001 -179.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.2 mt -57.66 -47.97 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 C-N-CA 119.975 -0.69 . . . . 42.98 110.101 176.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -52.76 -41.57 64.18 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.961 1.467 . . . . 40.1 114.961 176.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -94.05 -26.46 16.76 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 114.322 1.23 . . . . 39.09 114.322 -167.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' VAL . . . . . 0.515 ' O ' ' OH ' ' A' ' 5' ' ' TYR . 55.2 t -101.88 -43.21 9.71 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.691 0 N-CA-C 109.554 -0.536 . . . . 49.4 109.554 -169.981 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.58 132.22 21.23 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 112.819 0.674 . . . . 55.35 112.819 -175.381 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--O 1.241 0.605 0 CA-C-N 115.116 -0.947 . . . . 54.97 110.043 -172.269 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.532 0 N-CA-C 117.537 1.775 . . . . 43.29 117.537 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 58.3 p -141.21 155.7 46.01 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 118.664 1.232 . . . . 37.71 111.989 -166.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.7 t -136.34 119.49 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 N-CA-C 108.412 -0.959 . . . . 31.34 108.412 -171.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.5 p30 -90.75 177.89 6.2 Favored 'General case' 0 C--O 1.249 1.078 0 C-N-CA 119.346 -0.941 . . . . 29.84 110.702 174.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -61.86 -44.22 97.27 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 115.453 1.649 . . . . 33.08 115.453 -170.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -66.94 -34.95 78.89 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 119.362 -0.935 . . . . 29.93 112.457 178.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -66.42 -41.75 88.78 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.718 -0.845 . . . . 40.84 108.718 177.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -56.86 -44.74 82.47 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.536 0.939 . . . . 35.8 113.536 173.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 30.3 mt -59.49 -43.07 93.4 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-O 121.134 0.492 . . . . 27.4 110.979 177.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 94.7 t -65.32 -40.1 87.45 Favored 'Isoleucine or valine' 0 C--O 1.252 1.222 0 C-N-CA 118.886 -1.126 . . . . 29.12 110.422 179.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 42.5 mtt -65.9 -37.6 86.53 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 118.366 -1.334 . . . . 44.41 112.68 178.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 76.2 mmm -59.33 -49.82 76.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 118.431 -0.795 . . . . 29.88 109.819 174.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.7 t -59.23 -45.91 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 CA-C-N 118.281 0.491 . . . . 29.28 110.166 -177.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -56.38 -50.15 72.41 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 121.25 0.547 . . . . 36.15 110.218 177.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 18.6 t -69.5 -34.29 74.1 Favored 'General case' 0 C--O 1.274 2.372 0 C-N-CA 119.705 -0.798 . . . . 29.9 112.418 -174.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 88.6 mtp -58.57 -26.06 63.19 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 112.684 0.624 . . . . 39.23 112.684 178.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 58.3 mmtt -84.21 2.78 38.21 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 116.361 1.986 . . . . 50.69 116.361 176.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.0 p30 -105.13 16.86 25.08 Favored 'General case' 0 CA--C 1.483 -1.613 0 C-N-CA 117.837 -1.545 . . . . 34.79 114.203 174.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -65.76 145.43 56.0 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 119.477 -0.889 . . . . 34.12 109.201 172.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.261 1.687 0 CA-C-O 122.47 1.129 . . . . 40.49 113.175 172.411 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' GOL . . . . . 0.794 ' C2 ' ' OE1' ' A' ' 32' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . 0.807 ' O ' ' OD1' ' A' ' 30' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 ptt? . . . . . 0 N--CA 1.509 2.519 0 N-CA-C 120.063 3.357 . . . . 68.310000000000002 120.063 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASN . . . . . 0.527 ' C ' ' OD1' ' A' ' 2' ' ' ASN . 0.2 OUTLIER -63.66 151.57 41.42 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 107.91 -1.145 . . . . 57.520000000000003 107.91 -173.299 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ASP . . . . . 0.579 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . . . -93.39 -25.5 17.66 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.682 0.753 . . . . 55.030000000000001 110.91 -161.636 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ILE . . . . . 0.577 ' O ' ' N ' ' A' ' 7' ' ' ALA . . . -61.9 -54.81 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.001 0 N-CA-C 106.689 -1.597 . . . . 55.969999999999999 106.689 166.065 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' TYR . . . . . 0.497 ' OH ' ' O ' ' A' ' 64' ' ' VAL . 9.4 m-30 -55.3 -31.8 61.93 Favored 'General case' 0 CA--C 1.503 -0.844 0 N-CA-C 103.304 -2.85 . . . . 53.780000000000001 103.304 -176.3 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . 0.579 ' HB2' ' HA ' ' A' ' 3' ' ' ASP . 4.4 mttt -59.81 -30.99 69.3 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 119.808 -0.757 . . . . 68.299999999999997 112.603 177.326 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . 0.577 ' N ' ' O ' ' A' ' 4' ' ' ILE . . . -68.94 -32.42 72.0 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.817 1.043 . . . . 52.469999999999999 113.817 174.775 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.41 -52.73 9.3 Favored 'General case' 0 C--O 1.201 -1.455 0 N-CA-C 109.091 -0.707 . . . . 46.969999999999999 109.091 173.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 64.6 t -62.47 -28.58 44.98 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 N-CA-C 115.195 1.554 . . . . 48.780000000000001 115.195 -170.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -63.21 -14.37 48.36 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.386 0.612 . . . . 65.849999999999994 112.551 177.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -73.45 -24.66 60.26 Favored 'General case' 0 N--CA 1.433 -1.318 0 CA-C-O 119.14 -0.457 . . . . 54.579999999999998 111.915 177.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.9 mt -88.32 141.38 28.6 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.23 0.456 . . . . 41.409999999999997 112.23 -171.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.0 p -79.92 169.35 18.02 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 107.836 -1.172 . . . . 42.469999999999999 107.836 173.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -67.56 -37.98 83.47 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.5 0.556 . . . . 53.68 112.5 178.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -55.0 -47.52 74.53 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 121.774 0.797 . . . . 51.590000000000003 109.306 171.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -59.65 -49.53 77.39 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.581 -0.848 . . . . 38.130000000000003 112.239 178.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -61.49 -39.58 91.44 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 118.635 -1.226 . . . . 52.579999999999998 111.097 -177.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -67.82 -42.97 80.68 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 115.425 1.639 . . . . 53.829999999999998 115.425 176.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -59.29 -41.93 90.1 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 123.541 0.525 . . . . 61.420000000000002 110.965 173.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -69.46 -36.87 77.0 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 119.951 -0.7 . . . . 33.920000000000002 110.498 -177.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -66.97 -39.9 87.31 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.787 -0.642 . . . . 54.130000000000003 111.565 179.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.85 -36.02 80.0 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 120.036 -0.665 . . . . 32.789999999999999 111.313 174.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.27 -44.31 63.0 Favored 'General case' 0 CA--C 1.512 -0.491 0 O-C-N 121.55 -0.719 . . . . 30.390000000000001 112.168 -179.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -57.87 -39.35 77.59 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.862 0.839 . . . . 29.620000000000001 110.704 177.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -67.06 -18.88 65.54 Favored 'General case' 0 C--O 1.207 -1.133 0 N-CA-C 114.561 1.319 . . . . 37.75 114.561 -176.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.5 mm -66.35 -27.54 40.8 Favored 'Isoleucine or valine' 0 C--O 1.249 1.076 0 O-C-N 121.835 -0.541 . . . . 39.280000000000001 109.567 177.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' PHE . . . . . 0.515 ' CD2' HG22 ' A' ' 44' ' ' VAL . 96.7 m-85 -100.29 12.67 36.57 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.249 1.203 . . . . 32.689999999999998 114.249 -171.297 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.1 pt -134.32 149.77 30.31 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 C-N-CA 120.46 -0.496 . . . . 35.920000000000002 110.133 175.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.02 97.37 3.38 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 108.152 -1.055 . . . . 45.539999999999999 108.152 163.646 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ASP . . . . . 0.807 ' OD1' ' O ' ' A' ' 218' ' ' HOH . 2.7 m-20 -42.37 -36.49 1.29 Allowed 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 124.695 1.198 . . . . 52.009999999999998 111.847 -171.958 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.88 -13.52 57.46 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.673 -0.694 . . . . 42.740000000000002 111.491 -167.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . 1.036 ' OE1' ' H2 ' ' A' ' 112' ' ' GOL . 3.4 pt-20 -145.46 -0.65 0.84 Allowed 'General case' 0 C--O 1.198 -1.64 0 N-CA-C 116.895 2.183 . . . . 58.759999999999998 116.895 -169.048 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -139.37 135.85 34.13 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 119.195 -1.002 . . . . 31.98 111.271 -173.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -105.09 -9.16 34.86 Favored Glycine 0 N--CA 1.477 1.369 0 N-CA-C 114.304 0.482 . . . . 29.140000000000001 114.304 179.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.3 p -132.92 149.09 52.27 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-O 122.164 0.983 . . . . 28.52 112.664 -170.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.4 pt -100.4 162.02 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.803 0 CA-C-N 115.468 -0.787 . . . . 26.5 109.823 170.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' SER . . . . . 0.613 ' HA ' ' H2 ' ' A' ' 111' ' ' ACT . 94.0 p -82.7 171.49 13.94 Favored 'General case' 0 CA--C 1.491 -1.29 0 C-N-CA 119.456 -0.897 . . . . 36.57 108.766 -179.912 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.0 p -71.25 -26.64 62.99 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 111.65 0.241 . . . . 44.460000000000001 111.65 -177.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . . . -68.41 -39.25 81.68 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 121.398 -0.813 . . . . 46.460000000000001 113.077 169.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLU . . . . . 0.588 ' O ' HG23 ' A' ' 44' ' ' VAL . 69.2 mt-10 -68.73 -23.19 64.31 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 113.766 1.024 . . . . 33.829999999999998 113.766 176.428 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.4 tp -61.2 -45.67 93.61 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 120.211 -0.596 . . . . 33.369999999999997 111.364 -177.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.63 -42.5 94.23 Favored Glycine 0 N--CA 1.474 1.196 0 N-CA-C 108.555 -1.818 . . . . 28.359999999999999 108.555 177.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -60.99 -49.87 75.67 Favored 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 114.154 1.168 . . . . 46.090000000000003 114.154 -178.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 40' ' ' GLU . 2.8 t -61.49 -39.4 82.81 Favored 'Isoleucine or valine' 0 C--O 1.246 0.886 0 C-N-CA 120.197 -0.601 . . . . 35.07 112.41 176.607 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 96.6 mtp -65.2 -39.14 92.43 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 118.48 -1.288 . . . . 32.229999999999997 111.512 -179.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.3 mtm-85 -69.66 -31.84 70.15 Favored 'General case' 0 C--O 1.214 -0.791 0 CA-C-N 115.585 -0.734 . . . . 50.710000000000001 109.366 179.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 9.8 ttt -65.01 -22.49 67.01 Favored 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 119.554 -0.858 . . . . 48.490000000000002 111.287 176.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.5 mt -102.26 14.81 30.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.808 -0.557 . . . . 35.340000000000003 110.783 177.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.23 13.29 68.81 Favored Glycine 0 N--CA 1.468 0.798 0 N-CA-C 116.014 1.165 . . . . 33.109999999999999 116.014 173.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -95.79 158.01 15.64 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 107.719 -1.215 . . . . 34.299999999999997 107.719 177.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -132.53 66.28 76.46 Favored Pre-proline 0 C--O 1.216 -0.703 0 C-N-CA 119.915 -0.714 . . . . 52.539999999999999 111.782 179.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.29 152.4 71.75 Favored 'Trans proline' 0 C--N 1.322 -0.866 0 C-N-CA 118.021 -0.853 . . . . 35.439999999999998 111.334 -174.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.3 p -87.0 154.98 55.46 Favored Pre-proline 0 N--CA 1.453 -0.282 0 N-CA-C 109.141 -0.689 . . . . 46.469999999999999 109.141 175.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -57.38 -39.07 92.25 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 N-CA-C 113.756 0.637 . . . . 46.189999999999998 113.756 173.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . . . -63.16 -37.77 88.55 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.844 1.202 . . . . 44.100000000000001 111.884 175.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -60.12 -48.44 81.69 Favored 'General case' 0 C--O 1.209 -1.071 0 N-CA-C 113.043 0.757 . . . . 37.670000000000002 113.043 171.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.83 -39.74 86.12 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.358 0.526 . . . . 38.909999999999997 111.267 -177.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -63.75 -48.74 75.76 Favored 'General case' 0 C--O 1.251 1.144 0 C-N-CA 120.58 -0.448 . . . . 46.890000000000001 111.231 178.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -55.53 -48.43 74.7 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.987 -0.552 . . . . 63.009999999999998 111.348 176.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 36.2 mtm -62.36 -44.82 95.58 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.561 -0.856 . . . . 44.18 111.001 -179.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.2 mt -57.66 -47.97 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 C-N-CA 119.975 -0.69 . . . . 42.979999999999997 110.101 176.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -52.76 -41.57 64.18 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.961 1.467 . . . . 40.100000000000001 114.961 176.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -94.05 -26.46 16.76 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 114.322 1.23 . . . . 39.090000000000003 114.322 -167.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' VAL . . . . . 0.497 ' O ' ' OH ' ' A' ' 5' ' ' TYR . 55.2 t -101.88 -43.21 9.71 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.691 0 N-CA-C 109.554 -0.536 . . . . 49.399999999999999 109.554 -169.981 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.58 132.22 21.23 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 112.819 0.674 . . . . 55.350000000000001 112.819 -175.381 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLU . . . . . 0.448 ' HG3' ' OE2' ' A' ' 76' ' ' GLU . 1.3 mt-10 . . . . . 0 C--O 1.241 0.605 0 CA-C-N 115.116 -0.947 . . . . 54.969999999999999 110.043 -172.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.532 0 N-CA-C 117.537 1.775 . . . . 43.289999999999999 117.537 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 58.3 p -141.21 155.7 46.01 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 118.664 1.232 . . . . 37.710000000000001 111.989 -166.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.7 t -136.34 119.49 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 N-CA-C 108.412 -0.959 . . . . 31.34 108.412 -171.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.5 p30 -90.75 177.89 6.2 Favored 'General case' 0 C--O 1.249 1.078 0 C-N-CA 119.346 -0.941 . . . . 29.84 110.702 174.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -61.86 -44.22 97.27 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 115.453 1.649 . . . . 33.079999999999998 115.453 -170.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -66.94 -34.95 78.89 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 119.362 -0.935 . . . . 29.93 112.457 178.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLU . . . . . 0.448 ' OE2' ' HG3' ' A' ' 66' ' ' GLU . 88.0 mt-10 -66.42 -41.75 88.78 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.718 -0.845 . . . . 40.840000000000003 108.718 177.313 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -56.86 -44.74 82.47 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.536 0.939 . . . . 35.799999999999997 113.536 173.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 30.3 mt -59.49 -43.07 93.4 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-O 121.134 0.492 . . . . 27.399999999999999 110.979 177.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 94.7 t -65.32 -40.1 87.45 Favored 'Isoleucine or valine' 0 C--O 1.252 1.222 0 C-N-CA 118.886 -1.126 . . . . 29.120000000000001 110.422 179.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 42.5 mtt -65.9 -37.6 86.53 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 118.366 -1.334 . . . . 44.409999999999997 112.68 178.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 76.2 mmm -59.33 -49.82 76.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 118.431 -0.795 . . . . 29.879999999999999 109.819 174.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.7 t -59.23 -45.91 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 CA-C-N 118.281 0.491 . . . . 29.280000000000001 110.166 -177.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -56.38 -50.15 72.41 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 121.25 0.547 . . . . 36.149999999999999 110.218 177.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 18.6 t -69.5 -34.29 74.1 Favored 'General case' 0 C--O 1.274 2.372 0 C-N-CA 119.705 -0.798 . . . . 29.899999999999999 112.418 -174.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 88.6 mtp -58.57 -26.06 63.19 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 112.684 0.624 . . . . 39.229999999999997 112.684 178.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 58.3 mmtt -84.21 2.78 38.21 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 116.361 1.986 . . . . 50.689999999999998 116.361 176.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.0 p30 -105.13 16.86 25.08 Favored 'General case' 0 CA--C 1.483 -1.613 0 C-N-CA 117.837 -1.545 . . . . 34.789999999999999 114.203 174.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -65.76 145.43 56.0 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 119.477 -0.889 . . . . 34.119999999999997 109.201 172.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.261 1.687 0 CA-C-O 122.47 1.129 . . . . 40.490000000000002 113.175 172.411 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' ACT . . . . . 0.613 ' H2 ' ' HA ' ' A' ' 37' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' GOL . . . . . 1.036 ' H2 ' ' OE1' ' A' ' 32' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . 0.807 ' O ' ' OD1' ' A' ' 30' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 ptt? . . . . . 0 N--CA 1.509 2.519 0 N-CA-C 120.063 3.357 . . . . 68.310000000000002 120.063 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.527 ' C ' ' OD1' ' A' ' 2' ' ' ASN . 0.2 OUTLIER -63.66 151.57 41.42 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 107.91 -1.145 . . . . 57.520000000000003 107.91 -173.299 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.579 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . . . -93.39 -25.5 17.66 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.682 0.753 . . . . 55.030000000000001 110.91 -161.636 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.577 ' O ' ' N ' ' A' ' 7' ' ' ALA . . . -61.9 -54.81 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.001 0 N-CA-C 106.689 -1.597 . . . . 55.969999999999999 106.689 166.065 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.497 ' OH ' ' O ' ' A' ' 64' ' ' VAL . 9.4 m-30 -55.3 -31.8 61.93 Favored 'General case' 0 CA--C 1.503 -0.844 0 N-CA-C 103.304 -2.85 . . . . 53.780000000000001 103.304 -176.3 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.579 ' HB2' ' HA ' ' A' ' 3' ' ' ASP . 4.4 mttt -59.81 -30.99 69.3 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 119.808 -0.757 . . . . 68.299999999999997 112.603 177.326 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.577 ' N ' ' O ' ' A' ' 4' ' ' ILE . . . -68.94 -32.42 72.0 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.817 1.043 . . . . 52.469999999999999 113.817 174.775 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.41 -52.73 9.3 Favored 'General case' 0 C--O 1.201 -1.455 0 N-CA-C 109.091 -0.707 . . . . 46.969999999999999 109.091 173.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 64.6 t -62.47 -28.58 44.98 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 N-CA-C 115.195 1.554 . . . . 48.780000000000001 115.195 -170.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -63.21 -14.37 48.36 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.386 0.612 . . . . 65.849999999999994 112.551 177.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -73.45 -24.66 60.26 Favored 'General case' 0 N--CA 1.433 -1.318 0 CA-C-O 119.14 -0.457 . . . . 54.579999999999998 111.915 177.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.9 mt -88.32 141.38 28.6 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.23 0.456 . . . . 41.409999999999997 112.23 -171.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.0 p -79.92 169.35 18.02 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 107.836 -1.172 . . . . 42.469999999999999 107.836 173.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -67.56 -37.98 83.47 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.5 0.556 . . . . 53.68 112.5 178.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -55.0 -47.52 74.53 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 121.774 0.797 . . . . 51.590000000000003 109.306 171.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -59.65 -49.53 77.39 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.581 -0.848 . . . . 38.130000000000003 112.239 178.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -61.49 -39.58 91.44 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 118.635 -1.226 . . . . 52.579999999999998 111.097 -177.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -67.82 -42.97 80.68 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 115.425 1.639 . . . . 53.829999999999998 115.425 176.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -59.29 -41.93 90.1 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 123.541 0.525 . . . . 61.420000000000002 110.965 173.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -69.46 -36.87 77.0 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 119.951 -0.7 . . . . 33.920000000000002 110.498 -177.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -66.97 -39.9 87.31 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.787 -0.642 . . . . 54.130000000000003 111.565 179.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.85 -36.02 80.0 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 120.036 -0.665 . . . . 32.789999999999999 111.313 174.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.27 -44.31 63.0 Favored 'General case' 0 CA--C 1.512 -0.491 0 O-C-N 121.55 -0.719 . . . . 30.390000000000001 112.168 -179.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -57.87 -39.35 77.59 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.862 0.839 . . . . 29.620000000000001 110.704 177.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -67.06 -18.88 65.54 Favored 'General case' 0 C--O 1.207 -1.133 0 N-CA-C 114.561 1.319 . . . . 37.75 114.561 -176.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.5 mm -66.35 -27.54 40.8 Favored 'Isoleucine or valine' 0 C--O 1.249 1.076 0 O-C-N 121.835 -0.541 . . . . 39.280000000000001 109.567 177.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.515 ' CD2' HG22 ' A' ' 44' ' ' VAL . 96.7 m-85 -100.29 12.67 36.57 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.249 1.203 . . . . 32.689999999999998 114.249 -171.297 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.1 pt -134.32 149.77 30.31 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 C-N-CA 120.46 -0.496 . . . . 35.920000000000002 110.133 175.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.02 97.37 3.38 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 108.152 -1.055 . . . . 45.539999999999999 108.152 163.646 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.807 ' OD1' ' O ' ' A' ' 218' ' ' HOH . 2.7 m-20 -42.37 -36.49 1.29 Allowed 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 124.695 1.198 . . . . 52.009999999999998 111.847 -171.958 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.88 -13.52 57.46 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.673 -0.694 . . . . 42.740000000000002 111.491 -167.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . 1.036 ' OE1' ' H2 ' ' A' ' 112' ' ' GOL . 3.4 pt-20 -145.46 -0.65 0.84 Allowed 'General case' 0 C--O 1.198 -1.64 0 N-CA-C 116.895 2.183 . . . . 58.759999999999998 116.895 -169.048 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -139.37 135.85 34.13 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 119.195 -1.002 . . . . 31.98 111.271 -173.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -105.09 -9.16 34.86 Favored Glycine 0 N--CA 1.477 1.369 0 N-CA-C 114.304 0.482 . . . . 29.140000000000001 114.304 179.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.3 p -132.92 149.09 52.27 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-O 122.164 0.983 . . . . 28.52 112.664 -170.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.4 pt -100.4 162.02 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.803 0 CA-C-N 115.468 -0.787 . . . . 26.5 109.823 170.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' SER . . . . . 0.613 ' HA ' ' H2 ' ' A' ' 111' ' ' ACT . 94.0 p -82.7 171.49 13.94 Favored 'General case' 0 CA--C 1.491 -1.29 0 C-N-CA 119.456 -0.897 . . . . 36.57 108.766 -179.912 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.0 p -71.25 -26.64 62.99 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 111.65 0.241 . . . . 44.460000000000001 111.65 -177.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . . . -68.41 -39.25 81.68 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 121.398 -0.813 . . . . 46.460000000000001 113.077 169.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.588 ' O ' HG23 ' A' ' 44' ' ' VAL . 69.2 mt-10 -68.73 -23.19 64.31 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 113.766 1.024 . . . . 33.829999999999998 113.766 176.428 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.4 tp -61.2 -45.67 93.61 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 120.211 -0.596 . . . . 33.369999999999997 111.364 -177.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.63 -42.5 94.23 Favored Glycine 0 N--CA 1.474 1.196 0 N-CA-C 108.555 -1.818 . . . . 28.359999999999999 108.555 177.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -60.99 -49.87 75.67 Favored 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 114.154 1.168 . . . . 46.090000000000003 114.154 -178.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 40' ' ' GLU . 2.8 t -61.49 -39.4 82.81 Favored 'Isoleucine or valine' 0 C--O 1.246 0.886 0 C-N-CA 120.197 -0.601 . . . . 35.07 112.41 176.607 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 96.6 mtp -65.2 -39.14 92.43 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 118.48 -1.288 . . . . 32.229999999999997 111.512 -179.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.3 mtm-85 -69.66 -31.84 70.15 Favored 'General case' 0 C--O 1.214 -0.791 0 CA-C-N 115.585 -0.734 . . . . 50.710000000000001 109.366 179.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 9.8 ttt -65.01 -22.49 67.01 Favored 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 119.554 -0.858 . . . . 48.490000000000002 111.287 176.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.5 mt -102.26 14.81 30.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.808 -0.557 . . . . 35.340000000000003 110.783 177.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.23 13.29 68.81 Favored Glycine 0 N--CA 1.468 0.798 0 N-CA-C 116.014 1.165 . . . . 33.109999999999999 116.014 173.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -95.79 158.01 15.64 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 107.719 -1.215 . . . . 34.299999999999997 107.719 177.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -132.53 66.28 76.46 Favored Pre-proline 0 C--O 1.216 -0.703 0 C-N-CA 119.915 -0.714 . . . . 52.539999999999999 111.782 179.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.29 152.4 71.75 Favored 'Trans proline' 0 C--N 1.322 -0.866 0 C-N-CA 118.021 -0.853 . . . . 35.439999999999998 111.334 -174.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.3 p -87.0 154.98 55.46 Favored Pre-proline 0 N--CA 1.453 -0.282 0 N-CA-C 109.141 -0.689 . . . . 46.469999999999999 109.141 175.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -57.38 -39.07 92.25 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 N-CA-C 113.756 0.637 . . . . 46.189999999999998 113.756 173.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . . . -63.16 -37.77 88.55 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.844 1.202 . . . . 44.100000000000001 111.884 175.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -60.12 -48.44 81.69 Favored 'General case' 0 C--O 1.209 -1.071 0 N-CA-C 113.043 0.757 . . . . 37.670000000000002 113.043 171.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.83 -39.74 86.12 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.358 0.526 . . . . 38.909999999999997 111.267 -177.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -63.75 -48.74 75.76 Favored 'General case' 0 C--O 1.251 1.144 0 C-N-CA 120.58 -0.448 . . . . 46.890000000000001 111.231 178.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -55.53 -48.43 74.7 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.987 -0.552 . . . . 63.009999999999998 111.348 176.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 36.2 mtm -62.36 -44.82 95.58 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.561 -0.856 . . . . 44.18 111.001 -179.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.2 mt -57.66 -47.97 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 C-N-CA 119.975 -0.69 . . . . 42.979999999999997 110.101 176.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -52.76 -41.57 64.18 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.961 1.467 . . . . 40.100000000000001 114.961 176.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -94.05 -26.46 16.76 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 114.322 1.23 . . . . 39.090000000000003 114.322 -167.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.497 ' O ' ' OH ' ' A' ' 5' ' ' TYR . 55.2 t -101.88 -43.21 9.71 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.691 0 N-CA-C 109.554 -0.536 . . . . 49.399999999999999 109.554 -169.981 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.58 132.22 21.23 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 112.819 0.674 . . . . 55.350000000000001 112.819 -175.381 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.448 ' HG3' ' OE2' ' A' ' 76' ' ' GLU . 1.3 mt-10 . . . . . 0 C--O 1.241 0.605 0 CA-C-N 115.116 -0.947 . . . . 54.969999999999999 110.043 -172.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.532 0 N-CA-C 117.537 1.775 . . . . 43.289999999999999 117.537 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 58.3 p -141.21 155.7 46.01 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 118.664 1.232 . . . . 37.710000000000001 111.989 -166.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.7 t -136.34 119.49 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 N-CA-C 108.412 -0.959 . . . . 31.34 108.412 -171.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.5 p30 -90.75 177.89 6.2 Favored 'General case' 0 C--O 1.249 1.078 0 C-N-CA 119.346 -0.941 . . . . 29.84 110.702 174.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -61.86 -44.22 97.27 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 115.453 1.649 . . . . 33.079999999999998 115.453 -170.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -66.94 -34.95 78.89 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 119.362 -0.935 . . . . 29.93 112.457 178.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.448 ' OE2' ' HG3' ' A' ' 66' ' ' GLU . 88.0 mt-10 -66.42 -41.75 88.78 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.718 -0.845 . . . . 40.840000000000003 108.718 177.313 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -56.86 -44.74 82.47 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.536 0.939 . . . . 35.799999999999997 113.536 173.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 30.3 mt -59.49 -43.07 93.4 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-O 121.134 0.492 . . . . 27.399999999999999 110.979 177.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 94.7 t -65.32 -40.1 87.45 Favored 'Isoleucine or valine' 0 C--O 1.252 1.222 0 C-N-CA 118.886 -1.126 . . . . 29.120000000000001 110.422 179.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 42.5 mtt -65.9 -37.6 86.53 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 118.366 -1.334 . . . . 44.409999999999997 112.68 178.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 76.2 mmm -59.33 -49.82 76.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 118.431 -0.795 . . . . 29.879999999999999 109.819 174.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.7 t -59.23 -45.91 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 CA-C-N 118.281 0.491 . . . . 29.280000000000001 110.166 -177.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -56.38 -50.15 72.41 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 121.25 0.547 . . . . 36.149999999999999 110.218 177.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 18.6 t -69.5 -34.29 74.1 Favored 'General case' 0 C--O 1.274 2.372 0 C-N-CA 119.705 -0.798 . . . . 29.899999999999999 112.418 -174.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 88.6 mtp -58.57 -26.06 63.19 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 112.684 0.624 . . . . 39.229999999999997 112.684 178.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 58.3 mmtt -84.21 2.78 38.21 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 116.361 1.986 . . . . 50.689999999999998 116.361 176.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.0 p30 -105.13 16.86 25.08 Favored 'General case' 0 CA--C 1.483 -1.613 0 C-N-CA 117.837 -1.545 . . . . 34.789999999999999 114.203 174.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -65.76 145.43 56.0 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 119.477 -0.889 . . . . 34.119999999999997 109.201 172.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.261 1.687 0 CA-C-O 122.47 1.129 . . . . 40.490000000000002 113.175 172.411 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' ACT . . . . . 0.613 ' H2 ' ' HA ' ' A' ' 37' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' GOL . . . . . 1.036 ' H2 ' ' OE1' ' A' ' 32' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . 0.807 ' O ' ' OD1' ' A' ' 30' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_