data_5g31_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 5g31 _Structure_validation_residue.Date_analyzed 2017-03-10 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 . . . . . 0.764 ' N ' ' OE1' ' A' ' 47' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--O 1.235 0.315 0 N-CA-C 109.617 -0.512 . . . . 83.62 109.617 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . 0.564 ' N ' ' SD ' ' A' ' 1' ' ' MET . 82.6 t -81.64 128.38 38.77 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 N-CA-C 108.098 -1.075 . . . . 44.49 108.098 173.741 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -85.21 126.41 33.65 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.432 -0.907 . . . . 50.55 110.66 -174.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.43 116.62 22.59 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.549 -0.461 . . . . 57.2 110.154 177.253 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.8 t -65.19 136.05 27.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 CA-C-O 121.343 0.592 . . . . 42.96 109.582 172.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -96.13 -33.6 12.0 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 113.413 0.894 . . . . 58.49 113.413 -176.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -163.0 -174.45 3.89 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.093 -1.447 . . . . 51.41 107.093 178.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -65.96 -43.64 87.35 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.969 -0.559 . . . . 57.8 111.831 -176.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -55.91 -45.35 78.72 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 120.807 0.337 . . . . 81.72 110.982 176.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -61.59 -40.7 95.71 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.505 -0.316 . . . . 50.67 111.099 176.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.97 -48.95 78.09 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 120.879 0.371 . . . . 48.51 111.355 178.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 54.1 m -59.23 -39.11 81.71 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 120.285 -0.566 . . . . 40.99 110.771 176.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -58.63 -47.18 85.28 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.836 -0.346 . . . . 67.62 111.048 179.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -66.46 -38.77 88.07 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 120.577 -0.449 . . . . 53.93 111.405 -177.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.77 -38.05 89.08 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 112.338 0.496 . . . . 38.78 112.338 177.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -67.28 -48.32 68.04 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 119.358 -0.937 . . . . 39.91 110.732 177.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -66.01 -22.59 66.46 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.848 0.684 . . . . 69.96 112.848 -178.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.45 -20.2 65.37 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 113.285 0.846 . . . . 34.39 113.285 174.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 67.29 -127.64 26.99 Favored Glycine 0 N--CA 1.467 0.765 0 C-N-CA 118.864 -1.636 . . . . 34.39 110.878 -179.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' 2016 ' ' HOH . 31.9 p30 -95.63 7.91 44.93 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 113.397 0.888 . . . . 45.93 113.397 178.201 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -73.69 149.84 41.64 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 121.711 0.767 . . . . 48.0 111.091 -177.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.83 138.1 58.44 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.954 -1.021 . . . . 28.02 109.283 167.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.3 t -117.39 126.85 74.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 107.43 -1.322 . . . . 26.98 107.43 175.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 64.0 t -112.22 121.36 64.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 N-CA-C 107.451 -1.315 . . . . 30.3 107.451 177.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.2 mp -111.27 118.83 58.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 108.909 -0.774 . . . . 31.2 108.909 -175.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -93.65 101.92 14.08 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 107.936 -1.135 . . . . 29.15 107.936 -179.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -83.79 115.53 22.27 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 107.873 -1.158 . . . . 32.01 107.873 174.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -136.92 169.72 17.3 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 121.719 0.771 . . . . 38.61 110.296 -170.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.44 152.17 46.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.473 -0.785 . . . . 34.25 109.056 174.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.2 p -74.17 -12.21 60.52 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 112.554 0.576 . . . . 45.24 112.554 -177.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 34.9 p-90 -91.27 5.56 48.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 118.521 0.6 . . . . 36.34 112.502 174.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 t -100.8 115.5 30.48 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.939 -0.763 . . . . 38.62 108.939 -173.851 163.674 -135.814 85.102 100.647 2.065 107.123 70.956 -51.425 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.67 -51.96 17.9 Favored Glycine 0 C--O 1.242 0.612 0 N-CA-C 115.22 0.848 . . . . 37.88 115.22 -176.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -50.28 -39.09 53.06 Favored 'Trans proline' 0 N--CA 1.476 0.498 0 N-CA-C 114.213 0.813 . . . . 42.03 114.213 169.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 35.3 m -60.28 -41.05 92.51 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.073 -0.651 . . . . 43.43 111.029 176.825 -51.425 70.956 85.102 107.123 2.065 100.647 -135.814 163.674 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -64.76 -34.9 79.43 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.045 -0.662 . . . . 56.84 110.82 177.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 34.6 mmt -71.14 -41.66 70.17 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.471 -0.491 . . . . 65.67 111.753 -175.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.9 tt -81.61 -14.96 12.4 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 C-N-CA 119.726 -0.789 . . . . 43.87 111.972 -178.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.46 -48.73 88.93 Favored Pre-proline 0 C--O 1.245 0.819 0 N-CA-C 114.266 1.21 . . . . 47.83 114.266 -175.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -65.79 -34.28 40.68 Favored 'Trans proline' 0 C--O 1.241 0.655 0 CA-C-N 121.771 1.668 . . . . 46.58 114.071 178.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -64.87 -41.82 95.34 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 119.959 -0.696 . . . . 60.88 110.991 175.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.67 -35.56 78.31 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.667 0.27 . . . . 56.24 111.027 176.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -61.55 -51.97 66.37 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.243 -0.583 . . . . 65.19 111.143 176.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . 0.649 ' OE1' ' O ' ' A' 2027 ' ' HOH . 20.4 mm-40 -62.16 -35.41 78.73 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 119.558 -0.857 . . . . 67.95 110.845 -178.187 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.25 -44.61 95.11 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.569 -0.452 . . . . 39.38 110.925 177.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.4 p -68.15 -27.51 66.49 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 119.208 -0.997 . . . . 44.89 111.208 -179.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLN . . . . . 0.764 ' OE1' ' N ' ' A' ' 1' ' ' MET . 19.6 mm100 -74.73 -32.43 62.11 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.113 -0.635 . . . . 68.29 111.652 175.893 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.95 -26.85 28.94 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 112.992 0.738 . . . . 48.65 112.992 -178.234 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' MET . . . . . 0.592 ' CG ' ' OD1' ' A' ' 51' ' ' ASP . 41.8 ttm -119.9 88.02 2.86 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.399 -0.593 . . . . 41.18 109.399 -167.912 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.7 p -79.44 -6.74 57.53 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 112.569 0.581 . . . . 51.12 112.569 177.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASP . . . . . 0.914 ' OD2' ' O ' ' A' 2031 ' ' HOH . 54.6 p-10 -83.52 11.85 6.48 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 123.421 0.451 . . . . 42.51 111.397 177.239 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.5 t -146.74 140.18 20.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 N-CA-C 108.276 -1.009 . . . . 35.07 108.276 179.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 78.7 t -94.25 122.01 45.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 108.762 -0.829 . . . . 31.04 108.762 178.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -109.61 120.39 42.36 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.293 -1.003 . . . . 35.18 108.293 -179.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.9 mt -118.31 162.13 18.79 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 107.421 -1.325 . . . . 30.42 107.421 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -139.45 154.75 47.82 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.611 -0.885 . . . . 48.29 108.611 171.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.5 t -136.15 116.68 17.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 N-CA-C 107.809 -1.182 . . . . 36.03 107.809 -176.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -75.42 110.95 10.21 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 107.634 -1.247 . . . . 41.28 107.634 170.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.4 m -61.11 -27.28 41.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 C-N-CA 119.677 -0.809 . . . . 36.29 110.465 -173.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . 0.72 ' OD2' ' O ' ' A' 2023 ' ' HOH . 18.4 m-20 -82.5 -18.82 40.24 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 113.294 0.85 . . . . 60.9 113.294 -179.3 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -96.68 -23.23 16.56 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 119.279 0.945 . . . . 76.85 113.341 170.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 61.7 m -123.08 61.22 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 118.94 0.791 . . . . 44.7 110.024 178.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 -54.36 -43.01 70.93 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 113.104 0.779 . . . . 56.63 113.104 -174.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -69.17 -30.92 69.24 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 118.955 -1.098 . . . . 72.55 112.201 -175.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.1 mt -65.74 -42.64 92.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 C-N-CA 119.137 -1.025 . . . . 39.61 109.986 174.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.97 -38.89 92.95 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 121.89 -0.506 . . . . 34.54 110.945 179.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -74.17 -39.27 63.33 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 119.903 -0.719 . . . . 61.09 111.367 -178.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -59.32 -31.67 69.37 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.502 -0.479 . . . . 54.87 112.255 176.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -98.62 8.97 44.28 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 112.88 0.696 . . . . 40.85 112.88 -179.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 54.18 41.86 31.81 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.206 1.003 . . . . 52.95 111.853 174.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -63.87 134.72 28.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 115.211 -0.904 . . . . 40.46 109.621 175.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.44 -17.28 2.31 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 114.6 1.333 . . . . 49.09 114.6 179.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 m -119.69 150.23 40.69 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 119.821 1.191 . . . . 49.07 109.146 175.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.3 mmt -118.45 118.19 33.99 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.343 -0.844 . . . . 36.56 110.914 177.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -82.74 169.7 58.98 Favored 'Cis proline' 0 N--CA 1.479 0.631 0 O-C-N 122.659 0.821 . . . . 28.84 114.213 -1.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 99.1 m -127.46 132.17 50.08 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 107.112 -1.44 . . . . 31.35 107.112 167.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -105.77 121.54 44.25 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.76 -1.2 . . . . 28.18 107.76 173.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 44.9 tp -100.58 140.95 34.12 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.205 -1.035 . . . . 40.04 108.205 176.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -116.35 109.94 18.04 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 107.803 -1.184 . . . . 27.97 107.803 -178.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 49.0 mtp -116.14 149.59 38.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.354 . . . . 30.06 110.223 -179.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -158.65 130.16 6.49 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.024 -0.732 . . . . 33.32 109.024 179.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 47.87 48.54 17.68 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.882 0.848 . . . . 32.94 110.889 -179.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.42 2.74 50.78 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 116.928 1.531 . . . . 41.5 116.928 177.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -109.82 142.17 41.47 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.755 1.777 . . . . 61.12 110.745 179.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -75.85 121.08 22.1 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 108.838 -0.801 . . . . 52.26 108.838 168.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 70.6 mt -104.96 -28.22 11.22 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.58 0.956 . . . . 39.65 113.58 -177.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -166.29 166.77 16.53 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.75 0.786 . . . . 39.22 108.951 -168.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.3 t -146.69 154.36 41.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.481 -1.236 . . . . 45.03 108.115 177.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.8 tp -139.58 122.61 16.76 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.138 -0.69 . . . . 29.51 109.138 173.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.9 m -92.5 133.21 36.14 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 110.068 -0.345 . . . . 34.15 110.068 172.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.01 168.62 39.32 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-O 122.549 1.083 . . . . 34.46 112.12 175.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -101.07 49.23 0.88 Allowed 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 114.609 -0.795 . . . . 36.98 111.898 -170.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -87.91 104.97 17.11 Favored 'General case' 0 N--CA 1.461 0.122 0 N-CA-C 107.123 -1.436 . . . . 60.55 107.123 178.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -70.43 -34.26 72.28 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.361 -0.536 . . . . 40.87 112.099 -175.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ASP . . . . . 0.694 ' OD2' ' O ' ' A' 2045 ' ' HOH . 19.6 m-20 -71.38 -33.44 69.51 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 118.431 -1.308 . . . . 69.45 111.564 179.661 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -71.41 -37.56 71.51 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 119.56 -0.856 . . . . 46.0 110.575 175.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 63.8 tp -55.5 -48.74 74.12 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.817 0.341 . . . . 34.58 111.398 173.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 58.1 mt -59.46 -39.56 84.01 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 119.304 -0.958 . . . . 41.18 110.945 179.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -67.23 -38.19 84.82 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 120.433 -0.507 . . . . 57.58 111.044 -179.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 96.4 mt -74.71 -30.2 61.45 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 119.148 -1.021 . . . . 27.78 111.411 -179.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.8 t -60.36 -48.81 86.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.409 0.623 . . . . 28.39 109.862 172.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -63.52 -41.29 98.5 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.915 -0.491 . . . . 33.06 111.093 -179.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -59.39 -40.76 87.61 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 121.945 -0.472 . . . . 33.59 112.037 179.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -101.18 -7.73 22.85 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 113.978 1.103 . . . . 28.33 113.978 -166.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' LYS . . . . . 0.911 ' NZ ' ' O ' ' A' 2031 ' ' HOH . 14.8 ptmt . . . . . 0 C--O 1.246 0.907 0 C-N-CA 118.859 -1.136 . . . . 42.18 109.557 -177.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1106 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2016 ' ' HOH . . . . . 0.495 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 2017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2023 ' ' HOH . . . . . 0.72 ' O ' ' OD2' ' A' ' 60' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 2024 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2025 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2026 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2027 ' ' HOH . . . . . 0.649 ' O ' ' OE1' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 2028 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2029 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2030 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2031 ' ' HOH . . . . . 0.914 ' O ' ' OD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 2032 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2033 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2034 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2035 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2036 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2037 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2038 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2039 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2040 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2041 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2042 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2043 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2044 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2045 ' ' HOH . . . . . 0.694 ' O ' ' OD2' ' A' ' 95' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 2046 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2047 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2048 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2049 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2050 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2051 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2052 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2053 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2054 ' ' HOH . . . . . 0.738 ' O ' ' OXT' ' A' ' 105' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . 0.761 ' N ' ' OE1' ' A' ' 47' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--O 1.235 0.315 0 N-CA-C 109.617 -0.512 . . . . 83.620000000000005 109.617 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . 0.564 ' N ' ' SD ' ' A' ' 1' ' ' MET . 82.6 t -81.64 128.38 38.77 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 N-CA-C 108.098 -1.075 . . . . 44.490000000000002 108.098 173.741 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -85.21 126.41 33.65 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.432 -0.907 . . . . 50.549999999999997 110.66 -174.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.43 116.62 22.59 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.549 -0.461 . . . . 57.200000000000003 110.154 177.253 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.8 t -65.19 136.05 27.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 CA-C-O 121.343 0.592 . . . . 42.960000000000001 109.582 172.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -96.13 -33.6 12.0 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 113.413 0.894 . . . . 58.490000000000002 113.413 -176.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -163.0 -174.45 3.89 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.093 -1.447 . . . . 51.409999999999997 107.093 178.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLN . . . . . 0.433 ' OE1' HG12 ' A' ' 65' ' ' ILE . 54.6 tp60 -65.96 -43.64 87.35 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.969 -0.559 . . . . 57.799999999999997 111.831 -176.749 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -55.91 -45.35 78.72 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 120.807 0.337 . . . . 81.719999999999999 110.982 176.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -61.59 -40.7 95.71 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.505 -0.316 . . . . 50.670000000000002 111.099 176.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.97 -48.95 78.09 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 120.879 0.371 . . . . 48.509999999999998 111.355 178.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 54.1 m -59.23 -39.11 81.71 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 120.285 -0.566 . . . . 40.990000000000002 110.771 176.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -58.63 -47.18 85.28 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.836 -0.346 . . . . 67.620000000000005 111.048 179.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -66.46 -38.77 88.07 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 120.577 -0.449 . . . . 53.93 111.405 -177.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.77 -38.05 89.08 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 112.338 0.496 . . . . 38.780000000000001 112.338 177.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -67.28 -48.32 68.04 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 119.358 -0.937 . . . . 40.630000000000003 110.732 177.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -66.01 -22.59 66.46 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.848 0.684 . . . . 69.959999999999994 112.848 -178.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.45 -20.2 65.37 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 113.285 0.846 . . . . 34.390000000000001 113.285 174.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 67.29 -127.64 26.99 Favored Glycine 0 N--CA 1.467 0.765 0 C-N-CA 118.864 -1.636 . . . . 34.390000000000001 110.878 -179.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.9 p30 -95.63 7.91 44.93 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 113.397 0.888 . . . . 45.93 113.397 178.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -73.69 149.84 41.64 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 121.711 0.767 . . . . 48.0 111.091 -177.25 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.83 138.1 58.44 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.954 -1.021 . . . . 28.02 109.283 167.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.3 t -117.39 126.85 74.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 107.43 -1.322 . . . . 26.98 107.43 175.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 64.0 t -112.22 121.36 64.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 N-CA-C 107.451 -1.315 . . . . 30.300000000000001 107.451 177.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.2 mp -111.27 118.83 58.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 108.909 -0.774 . . . . 31.199999999999999 108.909 -175.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -93.65 101.92 14.08 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 107.936 -1.135 . . . . 29.149999999999999 107.936 -179.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -83.79 115.53 22.27 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 107.873 -1.158 . . . . 32.009999999999998 107.873 174.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -136.92 169.72 17.3 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 121.719 0.771 . . . . 38.609999999999999 110.296 -170.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.44 152.17 46.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.473 -0.785 . . . . 34.25 109.056 174.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.2 p -74.17 -12.21 60.52 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 112.554 0.576 . . . . 45.240000000000002 112.554 -177.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 34.9 p-90 -91.27 5.56 48.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 118.521 0.6 . . . . 36.340000000000003 112.502 174.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 t -100.8 115.5 30.48 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.939 -0.763 . . . . 38.619999999999997 108.939 -173.851 163.674 -135.814 85.102 100.647 2.065 107.123 70.956 -51.425 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.67 -51.96 17.9 Favored Glycine 0 C--O 1.242 0.612 0 N-CA-C 115.22 0.848 . . . . 37.880000000000003 115.22 -176.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -50.28 -39.09 53.06 Favored 'Trans proline' 0 N--CA 1.476 0.498 0 N-CA-C 114.213 0.813 . . . . 42.030000000000001 114.213 169.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 35.3 m -60.28 -41.05 92.51 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.073 -0.651 . . . . 43.43 111.029 176.825 -51.425 70.956 85.102 107.123 2.065 100.647 -135.814 163.674 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -64.76 -34.9 79.43 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.045 -0.662 . . . . 56.840000000000003 110.82 177.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 34.6 mmt -71.14 -41.66 70.17 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.471 -0.491 . . . . 65.670000000000002 111.753 -175.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.9 tt -81.61 -14.96 12.4 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 C-N-CA 119.726 -0.789 . . . . 43.869999999999997 111.972 -178.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ALA . . . . . 0.426 ' HB3' ' HD3' ' A' ' 40' ' ' PRO . . . -52.46 -48.73 88.93 Favored Pre-proline 0 C--O 1.245 0.819 0 N-CA-C 114.266 1.21 . . . . 47.829999999999998 114.266 -175.854 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' PRO . . . . . 0.426 ' HD3' ' HB3' ' A' ' 39' ' ' ALA . 50.1 Cg_exo -65.79 -34.28 40.68 Favored 'Trans proline' 0 C--O 1.241 0.655 0 CA-C-N 121.771 1.668 . . . . 46.579999999999998 114.071 178.01 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -64.87 -41.82 95.34 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 119.959 -0.696 . . . . 60.880000000000003 110.991 175.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.67 -35.56 78.31 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.667 0.27 . . . . 56.240000000000002 111.027 176.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -61.55 -51.97 66.37 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.243 -0.583 . . . . 65.189999999999998 111.143 176.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . 0.649 ' OE1' ' O ' ' A' 2027 ' ' HOH . 20.4 mm-40 -62.16 -35.41 78.73 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 119.558 -0.857 . . . . 67.950000000000003 110.845 -178.187 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.25 -44.61 95.11 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.569 -0.452 . . . . 39.380000000000003 110.925 177.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.4 p -68.15 -27.51 66.49 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 119.208 -0.997 . . . . 44.890000000000001 111.208 -179.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLN . . . . . 0.761 ' OE1' ' N ' ' A' ' 1' ' ' MET . 19.6 mm100 -74.73 -32.43 62.11 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.113 -0.635 . . . . 68.290000000000006 111.652 175.893 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.95 -26.85 28.94 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 112.992 0.738 . . . . 48.649999999999999 112.992 -178.234 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' MET . . . . . 0.592 ' CG ' ' OD1' ' A' ' 51' ' ' ASP . 41.8 ttm -119.9 88.02 2.86 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.399 -0.593 . . . . 41.18 109.399 -167.912 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.7 p -79.44 -6.74 57.53 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 112.569 0.581 . . . . 51.119999999999997 112.569 177.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASP . . . . . 0.914 ' OD2' ' O ' ' A' 2031 ' ' HOH . 54.6 p-10 -83.52 11.85 6.48 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 123.421 0.451 . . . . 42.509999999999998 111.397 177.239 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.5 t -146.74 140.18 20.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 N-CA-C 108.276 -1.009 . . . . 35.07 108.276 179.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 78.7 t -94.25 122.01 45.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 108.762 -0.829 . . . . 31.039999999999999 108.762 178.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -109.61 120.39 42.36 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.293 -1.003 . . . . 35.18 108.293 -179.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.9 mt -118.31 162.13 18.79 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 107.421 -1.325 . . . . 30.420000000000002 107.421 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -139.45 154.75 47.82 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.611 -0.885 . . . . 48.289999999999999 108.611 171.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.5 t -136.15 116.68 17.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 N-CA-C 107.809 -1.182 . . . . 36.030000000000001 107.809 -176.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -75.42 110.95 10.21 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 107.634 -1.247 . . . . 41.280000000000001 107.634 170.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' VAL . . . . . 0.424 HG23 ' OD1' ' A' ' 60' ' ' ASP . 28.4 m -61.11 -27.28 41.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 C-N-CA 119.677 -0.809 . . . . 36.289999999999999 110.465 -173.345 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . 0.72 ' OD2' ' O ' ' A' 2023 ' ' HOH . 18.4 m-20 -82.5 -18.82 40.24 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 113.294 0.85 . . . . 60.899999999999999 113.294 -179.3 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -96.68 -23.23 16.56 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 119.279 0.945 . . . . 76.849999999999994 113.341 170.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' CYS . . . . . 0.482 ' HB3' HD12 ' A' ' 65' ' ' ILE . 61.7 m -123.08 61.22 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 118.94 0.791 . . . . 44.700000000000003 110.024 178.626 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 -54.36 -43.01 70.93 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 113.104 0.779 . . . . 56.630000000000003 113.104 -174.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -69.17 -30.92 69.24 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 118.955 -1.098 . . . . 72.549999999999997 112.201 -175.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ILE . . . . . 0.482 HD12 ' HB3' ' A' ' 62' ' ' CYS . 86.1 mt -65.74 -42.64 92.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 C-N-CA 119.137 -1.025 . . . . 39.609999999999999 109.986 174.779 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.97 -38.89 92.95 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 121.89 -0.506 . . . . 34.539999999999999 110.945 179.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -74.17 -39.27 63.33 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 119.903 -0.719 . . . . 61.090000000000003 111.367 -178.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -59.32 -31.67 69.37 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.502 -0.479 . . . . 54.869999999999997 112.255 176.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -98.62 8.97 44.28 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 112.88 0.696 . . . . 40.850000000000001 112.88 -179.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 54.18 41.86 31.81 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.206 1.003 . . . . 53.640000000000001 111.853 174.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -63.87 134.72 28.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 115.211 -0.904 . . . . 40.460000000000001 109.621 175.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.44 -17.28 2.31 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 114.6 1.333 . . . . 49.090000000000003 114.6 179.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 m -119.69 150.23 40.69 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 119.821 1.191 . . . . 49.07 109.146 175.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' MET . . . . . 0.437 ' HA ' ' HA ' ' A' ' 75' ' ' PRO . 14.3 mmt -118.45 118.19 33.99 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.343 -0.844 . . . . 36.560000000000002 110.914 177.955 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 74' ' ' MET . 86.5 Cg_endo -82.74 169.7 58.98 Favored 'Cis proline' 0 N--CA 1.479 0.631 0 O-C-N 122.659 0.821 . . . . 28.84 114.213 -1.279 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 99.1 m -127.46 132.17 50.08 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 107.112 -1.44 . . . . 31.350000000000001 107.112 167.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -105.77 121.54 44.25 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.76 -1.2 . . . . 28.18 107.76 173.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 44.9 tp -100.58 140.95 34.12 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.205 -1.035 . . . . 40.039999999999999 108.205 176.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -116.35 109.94 18.04 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 107.803 -1.184 . . . . 27.969999999999999 107.803 -178.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 49.0 mtp -116.14 149.59 38.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.354 . . . . 30.059999999999999 110.223 -179.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -158.65 130.16 6.49 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.024 -0.732 . . . . 33.32 109.024 179.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 47.87 48.54 17.68 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.882 0.848 . . . . 32.939999999999998 110.889 -179.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.42 2.74 50.78 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 116.928 1.531 . . . . 41.5 116.928 177.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -109.82 142.17 41.47 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.755 1.777 . . . . 61.119999999999997 110.745 179.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -75.85 121.08 22.1 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 108.838 -0.801 . . . . 52.259999999999998 108.838 168.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 70.6 mt -104.96 -28.22 11.22 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.58 0.956 . . . . 39.649999999999999 113.58 -177.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -166.29 166.77 16.53 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.75 0.786 . . . . 39.219999999999999 108.951 -168.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.3 t -146.69 154.36 41.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.481 -1.236 . . . . 45.030000000000001 108.115 177.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.8 tp -139.58 122.61 16.76 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.138 -0.69 . . . . 29.510000000000002 109.138 173.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.9 m -92.5 133.21 36.14 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 110.068 -0.345 . . . . 34.149999999999999 110.068 172.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.01 168.62 39.32 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-O 122.549 1.083 . . . . 34.460000000000001 112.12 175.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -101.07 49.23 0.88 Allowed 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 114.609 -0.795 . . . . 36.979999999999997 111.898 -170.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -87.91 104.97 17.11 Favored 'General case' 0 N--CA 1.461 0.122 0 N-CA-C 107.123 -1.436 . . . . 60.549999999999997 107.123 178.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -70.43 -34.26 72.28 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.361 -0.536 . . . . 40.869999999999997 112.099 -175.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ASP . . . . . 0.694 ' OD2' ' O ' ' A' 2045 ' ' HOH . 19.6 m-20 -71.38 -33.44 69.51 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 118.431 -1.308 . . . . 69.450000000000003 111.564 179.661 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -71.41 -37.56 71.51 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 119.56 -0.856 . . . . 46.0 110.575 175.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 63.8 tp -55.5 -48.74 74.12 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.817 0.341 . . . . 34.579999999999998 111.398 173.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 58.1 mt -59.46 -39.56 84.01 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 119.304 -0.958 . . . . 41.18 110.945 179.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -67.23 -38.19 84.82 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 120.433 -0.507 . . . . 57.579999999999998 111.044 -179.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 96.4 mt -74.71 -30.2 61.45 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 119.148 -1.021 . . . . 27.780000000000001 111.411 -179.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.8 t -60.36 -48.81 86.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.409 0.623 . . . . 28.390000000000001 109.862 172.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -63.52 -41.29 98.5 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.915 -0.491 . . . . 33.060000000000002 111.093 -179.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -59.39 -40.76 87.61 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 121.945 -0.472 . . . . 33.590000000000003 112.037 179.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -101.18 -7.73 22.85 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 113.978 1.103 . . . . 28.329999999999998 113.978 -166.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' LYS . . . . . 0.738 ' OXT' ' O ' ' A' 2054 ' ' HOH . 14.8 ptmt . . . . . 0 C--O 1.246 0.907 0 C-N-CA 118.859 -1.136 . . . . 42.18 109.557 -177.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1106 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2023 ' ' HOH . . . . . 0.72 ' O ' ' OD2' ' A' ' 60' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 2024 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2025 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2026 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2027 ' ' HOH . . . . . 0.649 ' O ' ' OE1' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 2028 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2029 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2030 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2031 ' ' HOH . . . . . 0.914 ' O ' ' OD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 2032 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2033 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2034 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2035 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2036 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2037 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2038 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2039 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2040 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2041 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2042 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2043 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2044 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2045 ' ' HOH . . . . . 0.694 ' O ' ' OD2' ' A' ' 95' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 2046 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2047 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2048 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2049 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2050 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2051 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2052 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2053 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2054 ' ' HOH . . . . . 0.738 ' O ' ' OXT' ' A' ' 105' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . 0.761 ' N ' ' OE1' ' A' ' 47' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--O 1.235 0.315 0 N-CA-C 109.617 -0.512 . . . . 83.620000000000005 109.617 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.564 ' N ' ' SD ' ' A' ' 1' ' ' MET . 82.6 t -81.64 128.38 38.77 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 N-CA-C 108.098 -1.075 . . . . 44.490000000000002 108.098 173.741 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -85.21 126.41 33.65 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.432 -0.907 . . . . 50.549999999999997 110.66 -174.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.43 116.62 22.59 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.549 -0.461 . . . . 57.200000000000003 110.154 177.253 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.8 t -65.19 136.05 27.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 CA-C-O 121.343 0.592 . . . . 42.960000000000001 109.582 172.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -96.13 -33.6 12.0 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 113.413 0.894 . . . . 58.490000000000002 113.413 -176.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -163.0 -174.45 3.89 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.093 -1.447 . . . . 51.409999999999997 107.093 178.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.433 ' OE1' HG12 ' A' ' 65' ' ' ILE . 54.6 tp60 -65.96 -43.64 87.35 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.969 -0.559 . . . . 57.799999999999997 111.831 -176.749 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -55.91 -45.35 78.72 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 120.807 0.337 . . . . 81.719999999999999 110.982 176.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -61.59 -40.7 95.71 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.505 -0.316 . . . . 50.670000000000002 111.099 176.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.97 -48.95 78.09 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 120.879 0.371 . . . . 48.509999999999998 111.355 178.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 54.1 m -59.23 -39.11 81.71 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 120.285 -0.566 . . . . 40.990000000000002 110.771 176.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -58.63 -47.18 85.28 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.836 -0.346 . . . . 67.620000000000005 111.048 179.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -66.46 -38.77 88.07 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 120.577 -0.449 . . . . 53.93 111.405 -177.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.77 -38.05 89.08 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 112.338 0.496 . . . . 38.780000000000001 112.338 177.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -67.28 -48.32 68.04 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 119.358 -0.937 . . . . 40.630000000000003 110.732 177.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -66.01 -22.59 66.46 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.848 0.684 . . . . 69.959999999999994 112.848 -178.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.45 -20.2 65.37 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 113.285 0.846 . . . . 34.390000000000001 113.285 174.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 67.29 -127.64 26.99 Favored Glycine 0 N--CA 1.467 0.765 0 C-N-CA 118.864 -1.636 . . . . 34.390000000000001 110.878 -179.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.9 p30 -95.63 7.91 44.93 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 113.397 0.888 . . . . 45.93 113.397 178.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -73.69 149.84 41.64 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 121.711 0.767 . . . . 48.0 111.091 -177.25 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.83 138.1 58.44 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.954 -1.021 . . . . 28.02 109.283 167.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.3 t -117.39 126.85 74.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 107.43 -1.322 . . . . 26.98 107.43 175.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 64.0 t -112.22 121.36 64.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 N-CA-C 107.451 -1.315 . . . . 30.300000000000001 107.451 177.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.2 mp -111.27 118.83 58.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 108.909 -0.774 . . . . 31.199999999999999 108.909 -175.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -93.65 101.92 14.08 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 107.936 -1.135 . . . . 29.149999999999999 107.936 -179.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -83.79 115.53 22.27 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 107.873 -1.158 . . . . 32.009999999999998 107.873 174.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -136.92 169.72 17.3 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 121.719 0.771 . . . . 38.609999999999999 110.296 -170.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.44 152.17 46.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.473 -0.785 . . . . 34.25 109.056 174.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.2 p -74.17 -12.21 60.52 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 112.554 0.576 . . . . 45.240000000000002 112.554 -177.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 34.9 p-90 -91.27 5.56 48.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 118.521 0.6 . . . . 36.340000000000003 112.502 174.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 t -100.8 115.5 30.48 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.939 -0.763 . . . . 38.619999999999997 108.939 -173.851 163.674 -135.814 85.102 100.647 2.065 107.123 70.956 -51.425 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.67 -51.96 17.9 Favored Glycine 0 C--O 1.242 0.612 0 N-CA-C 115.22 0.848 . . . . 37.880000000000003 115.22 -176.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -50.28 -39.09 53.06 Favored 'Trans proline' 0 N--CA 1.476 0.498 0 N-CA-C 114.213 0.813 . . . . 42.030000000000001 114.213 169.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 35.3 m -60.28 -41.05 92.51 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.073 -0.651 . . . . 43.43 111.029 176.825 -51.425 70.956 85.102 107.123 2.065 100.647 -135.814 163.674 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -64.76 -34.9 79.43 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.045 -0.662 . . . . 56.840000000000003 110.82 177.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 34.6 mmt -71.14 -41.66 70.17 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.471 -0.491 . . . . 65.670000000000002 111.753 -175.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.9 tt -81.61 -14.96 12.4 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 C-N-CA 119.726 -0.789 . . . . 43.869999999999997 111.972 -178.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.426 ' HB3' ' HD3' ' A' ' 40' ' ' PRO . . . -52.46 -48.73 88.93 Favored Pre-proline 0 C--O 1.245 0.819 0 N-CA-C 114.266 1.21 . . . . 47.829999999999998 114.266 -175.854 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.426 ' HD3' ' HB3' ' A' ' 39' ' ' ALA . 50.1 Cg_exo -65.79 -34.28 40.68 Favored 'Trans proline' 0 C--O 1.241 0.655 0 CA-C-N 121.771 1.668 . . . . 46.579999999999998 114.071 178.01 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -64.87 -41.82 95.34 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 119.959 -0.696 . . . . 60.880000000000003 110.991 175.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.67 -35.56 78.31 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.667 0.27 . . . . 56.240000000000002 111.027 176.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -61.55 -51.97 66.37 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.243 -0.583 . . . . 65.189999999999998 111.143 176.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.649 ' OE1' ' O ' ' A' 2027 ' ' HOH . 20.4 mm-40 -62.16 -35.41 78.73 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 119.558 -0.857 . . . . 67.950000000000003 110.845 -178.187 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.25 -44.61 95.11 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.569 -0.452 . . . . 39.380000000000003 110.925 177.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.4 p -68.15 -27.51 66.49 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 119.208 -0.997 . . . . 44.890000000000001 111.208 -179.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.761 ' OE1' ' N ' ' A' ' 1' ' ' MET . 19.6 mm100 -74.73 -32.43 62.11 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.113 -0.635 . . . . 68.290000000000006 111.652 175.893 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.95 -26.85 28.94 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 112.992 0.738 . . . . 48.649999999999999 112.992 -178.234 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' MET . . . . . 0.592 ' CG ' ' OD1' ' A' ' 51' ' ' ASP . 41.8 ttm -119.9 88.02 2.86 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.399 -0.593 . . . . 41.18 109.399 -167.912 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.7 p -79.44 -6.74 57.53 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 112.569 0.581 . . . . 51.119999999999997 112.569 177.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.914 ' OD2' ' O ' ' A' 2031 ' ' HOH . 54.6 p-10 -83.52 11.85 6.48 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 123.421 0.451 . . . . 42.509999999999998 111.397 177.239 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.5 t -146.74 140.18 20.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 N-CA-C 108.276 -1.009 . . . . 35.07 108.276 179.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 78.7 t -94.25 122.01 45.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 108.762 -0.829 . . . . 31.039999999999999 108.762 178.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -109.61 120.39 42.36 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.293 -1.003 . . . . 35.18 108.293 -179.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.9 mt -118.31 162.13 18.79 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 107.421 -1.325 . . . . 30.420000000000002 107.421 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -139.45 154.75 47.82 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.611 -0.885 . . . . 48.289999999999999 108.611 171.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.5 t -136.15 116.68 17.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 N-CA-C 107.809 -1.182 . . . . 36.030000000000001 107.809 -176.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -75.42 110.95 10.21 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 107.634 -1.247 . . . . 41.280000000000001 107.634 170.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.424 HG23 ' OD1' ' A' ' 60' ' ' ASP . 28.4 m -61.11 -27.28 41.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 C-N-CA 119.677 -0.809 . . . . 36.289999999999999 110.465 -173.345 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.72 ' OD2' ' O ' ' A' 2023 ' ' HOH . 18.4 m-20 -82.5 -18.82 40.24 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 113.294 0.85 . . . . 60.899999999999999 113.294 -179.3 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -96.68 -23.23 16.56 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 119.279 0.945 . . . . 76.849999999999994 113.341 170.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.482 ' HB3' HD12 ' A' ' 65' ' ' ILE . 61.7 m -123.08 61.22 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 118.94 0.791 . . . . 44.700000000000003 110.024 178.626 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 -54.36 -43.01 70.93 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 113.104 0.779 . . . . 56.630000000000003 113.104 -174.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -69.17 -30.92 69.24 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 118.955 -1.098 . . . . 72.549999999999997 112.201 -175.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.482 HD12 ' HB3' ' A' ' 62' ' ' CYS . 86.1 mt -65.74 -42.64 92.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 C-N-CA 119.137 -1.025 . . . . 39.609999999999999 109.986 174.779 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.97 -38.89 92.95 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 121.89 -0.506 . . . . 34.539999999999999 110.945 179.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -74.17 -39.27 63.33 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 119.903 -0.719 . . . . 61.090000000000003 111.367 -178.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -59.32 -31.67 69.37 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.502 -0.479 . . . . 54.869999999999997 112.255 176.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -98.62 8.97 44.28 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 112.88 0.696 . . . . 40.850000000000001 112.88 -179.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 54.18 41.86 31.81 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.206 1.003 . . . . 53.640000000000001 111.853 174.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -63.87 134.72 28.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 115.211 -0.904 . . . . 40.460000000000001 109.621 175.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.44 -17.28 2.31 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 114.6 1.333 . . . . 49.090000000000003 114.6 179.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 m -119.69 150.23 40.69 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 119.821 1.191 . . . . 49.07 109.146 175.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' MET . . . . . 0.437 ' HA ' ' HA ' ' A' ' 75' ' ' PRO . 14.3 mmt -118.45 118.19 33.99 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.343 -0.844 . . . . 36.560000000000002 110.914 177.955 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 74' ' ' MET . 86.5 Cg_endo -82.74 169.7 58.98 Favored 'Cis proline' 0 N--CA 1.479 0.631 0 O-C-N 122.659 0.821 . . . . 28.84 114.213 -1.279 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 99.1 m -127.46 132.17 50.08 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 107.112 -1.44 . . . . 31.350000000000001 107.112 167.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -105.77 121.54 44.25 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.76 -1.2 . . . . 28.18 107.76 173.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 44.9 tp -100.58 140.95 34.12 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.205 -1.035 . . . . 40.039999999999999 108.205 176.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -116.35 109.94 18.04 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 107.803 -1.184 . . . . 27.969999999999999 107.803 -178.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 49.0 mtp -116.14 149.59 38.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.354 . . . . 30.059999999999999 110.223 -179.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -158.65 130.16 6.49 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.024 -0.732 . . . . 33.32 109.024 179.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 47.87 48.54 17.68 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.882 0.848 . . . . 32.939999999999998 110.889 -179.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.42 2.74 50.78 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 116.928 1.531 . . . . 41.5 116.928 177.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -109.82 142.17 41.47 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.755 1.777 . . . . 61.119999999999997 110.745 179.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -75.85 121.08 22.1 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 108.838 -0.801 . . . . 52.259999999999998 108.838 168.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 70.6 mt -104.96 -28.22 11.22 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.58 0.956 . . . . 39.649999999999999 113.58 -177.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -166.29 166.77 16.53 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.75 0.786 . . . . 39.219999999999999 108.951 -168.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.3 t -146.69 154.36 41.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.481 -1.236 . . . . 45.030000000000001 108.115 177.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.8 tp -139.58 122.61 16.76 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.138 -0.69 . . . . 29.510000000000002 109.138 173.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.9 m -92.5 133.21 36.14 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 110.068 -0.345 . . . . 34.149999999999999 110.068 172.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.01 168.62 39.32 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-O 122.549 1.083 . . . . 34.460000000000001 112.12 175.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -101.07 49.23 0.88 Allowed 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 114.609 -0.795 . . . . 36.979999999999997 111.898 -170.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -87.91 104.97 17.11 Favored 'General case' 0 N--CA 1.461 0.122 0 N-CA-C 107.123 -1.436 . . . . 60.549999999999997 107.123 178.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -70.43 -34.26 72.28 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.361 -0.536 . . . . 40.869999999999997 112.099 -175.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.694 ' OD2' ' O ' ' A' 2045 ' ' HOH . 19.6 m-20 -71.38 -33.44 69.51 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 118.431 -1.308 . . . . 69.450000000000003 111.564 179.661 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -71.41 -37.56 71.51 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 119.56 -0.856 . . . . 46.0 110.575 175.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 63.8 tp -55.5 -48.74 74.12 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.817 0.341 . . . . 34.579999999999998 111.398 173.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 58.1 mt -59.46 -39.56 84.01 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 119.304 -0.958 . . . . 41.18 110.945 179.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -67.23 -38.19 84.82 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 120.433 -0.507 . . . . 57.579999999999998 111.044 -179.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 96.4 mt -74.71 -30.2 61.45 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 119.148 -1.021 . . . . 27.780000000000001 111.411 -179.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.8 t -60.36 -48.81 86.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.409 0.623 . . . . 28.390000000000001 109.862 172.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -63.52 -41.29 98.5 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.915 -0.491 . . . . 33.060000000000002 111.093 -179.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -59.39 -40.76 87.61 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 121.945 -0.472 . . . . 33.590000000000003 112.037 179.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -101.18 -7.73 22.85 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 113.978 1.103 . . . . 28.329999999999998 113.978 -166.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.738 ' OXT' ' O ' ' A' 2054 ' ' HOH . 14.8 ptmt . . . . . 0 C--O 1.246 0.907 0 C-N-CA 118.859 -1.136 . . . . 42.18 109.557 -177.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1106 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2023 ' ' HOH . . . . . 0.72 ' O ' ' OD2' ' A' ' 60' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 2024 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2025 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2026 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2027 ' ' HOH . . . . . 0.649 ' O ' ' OE1' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 2028 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2029 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2030 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2031 ' ' HOH . . . . . 0.914 ' O ' ' OD2' ' A' ' 51' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 2032 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2033 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2034 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2035 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2036 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2037 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2038 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2039 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2040 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2041 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2042 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2043 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2044 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2045 ' ' HOH . . . . . 0.694 ' O ' ' OD2' ' A' ' 95' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 2046 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2047 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2048 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2049 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2050 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2051 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2052 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2053 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2054 ' ' HOH . . . . . 0.738 ' O ' ' OXT' ' A' ' 105' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_