data_6dz6_residue ############################ # Computer software used # ############################ 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 6dz6 _Structure_validation_residue.Date_analyzed 2018-12-21 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 ' 3' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 CA--C 1.537 0.457 0 N-CA-C 113.83 1.048 . . . . 111.15 113.83 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.4 p -101.02 12.63 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.419 -0.585 . . . . 106.9 109.419 -40.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.4 m -51.01 -22.76 2.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.702 -0.681 . . . . 146.78 111.041 -175.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -65.64 -39.74 91.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 97.29 111.109 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.06 -52.51 63.65 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.326 -0.62 . . . . 78.04 109.326 179.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.3 mt -55.44 -42.5 74.29 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.971 -0.559 . . . . 86.63 110.794 179.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -56.31 -37.51 70.02 Favored 'General case' 0 CA--C 1.511 -0.54 0 C-N-CA 121.283 -0.167 . . . . 118.94 110.96 176.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -77.55 -39.11 47.06 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.264 -0.974 . . . . 199.03 112.671 -179.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 mt -57.94 -41.08 82.03 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 120.377 -0.529 . . . . 68.05 112.056 170.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -55.15 -47.53 74.99 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.689 0.625 . . . . 95.4 112.689 174.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -52.79 -56.23 17.18 Favored 'General case' 0 CA--C 1.527 0.074 0 N-CA-C 108.399 -0.963 . . . . 114.25 108.399 175.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -54.23 -48.43 71.1 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.165 -0.925 . . . . 58.4 111.235 -175.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.72 -48.31 72.48 Favored Glycine 0 N--CA 1.462 0.382 0 N-CA-C 112.224 -0.35 . . . . 63.36 112.224 175.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -63.29 -36.19 82.87 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 112.991 0.738 . . . . 81.15 112.991 177.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.7 m -66.52 -40.02 88.94 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.927 0.344 . . . . 50.51 111.927 177.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 mt -57.82 -53.16 61.35 Favored 'General case' 0 CA--C 1.51 -0.578 0 O-C-N 122.919 0.137 . . . . 48.64 110.728 170.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 -54.1 -38.45 65.37 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.887 -0.325 . . . . 113.61 111.868 -179.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -74.42 -40.59 61.88 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.816 0.341 . . . . 102.02 111.722 -178.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -73.33 -33.65 65.24 Favored 'General case' 0 C--O 1.217 -0.628 0 C-N-CA 120.405 -0.518 . . . . 124.03 112.068 -176.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.07 -43.46 74.55 Favored 'General case' 0 C--N 1.316 -0.864 0 O-C-N 122.264 -0.273 . . . . 49.34 110.86 177.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -60.03 -44.96 94.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.901 0.381 . . . . 141.44 110.474 172.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -48.69 -53.79 17.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.333 0.587 . . . . 124.78 109.713 173.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.9 tp -60.86 -45.37 94.79 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.536 0.569 . . . . 53.62 112.536 -176.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.34 -44.21 91.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 CA-C-N 116.512 -0.313 . . . . 63.95 110.338 179.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.8 m -56.99 -45.75 82.73 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.919 -0.582 . . . . 87.27 111.181 176.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 89.9 mtt-85 -62.6 -45.11 94.41 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.923 0.342 . . . . 159.82 111.923 -179.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.1 mt -59.89 -53.64 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 116.703 -0.226 . . . . 65.74 111.186 179.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -46.19 -39.0 9.04 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.227 0.454 . . . . 84.95 112.227 177.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -70.72 -39.44 73.4 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.456 -0.338 . . . . 69.84 111.258 177.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.4 m -67.45 -29.69 69.22 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.686 -0.634 . . . . 56.54 112.519 174.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -66.97 -56.41 10.31 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 107.688 -1.227 . . . . 96.23 107.688 178.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.7 tp -53.47 -50.88 64.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.312 -0.858 . . . . 58.45 113.12 178.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.0 t -58.8 -36.61 74.75 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.903 0.705 . . . . 52.21 112.903 179.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.87 -39.4 35.27 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 120.824 -0.35 . . . . 56.5 110.988 -176.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -64.05 -24.52 67.73 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 123.198 0.311 . . . . 96.29 111.222 176.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.8 mtp -74.66 -47.84 29.58 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 113.2 0.815 . . . . 80.76 113.2 170.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -52.21 -41.34 62.62 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.267 0.469 . . . . 123.13 112.267 173.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -59.84 -52.62 64.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 122.03 0.919 . . . . 105.3 109.986 175.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 20.1 t90 -64.17 -34.27 77.7 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 115.099 -0.955 . . . . 80.12 113.202 -175.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -71.45 -44.41 64.85 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.368 0.531 . . . . 54.32 110.669 179.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.7 t -60.86 -50.97 71.28 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.976 -0.556 . . . . 73.45 110.672 177.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -48.22 -54.93 11.84 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.007 -0.997 . . . . 111.05 112.592 175.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.1 m -60.2 -39.59 87.08 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 122.757 0.423 . . . . 66.42 111.013 177.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -67.35 -34.41 77.25 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 112.035 0.383 . . . . 87.16 112.035 179.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -67.69 -39.33 84.43 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.281 -0.568 . . . . 101.3 111.798 179.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -71.78 -26.06 62.28 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 119.903 -0.719 . . . . 94.62 112.551 179.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 97.8 t -73.37 -38.37 53.29 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.639 0 C-N-CA 119.424 -0.91 . . . . 64.04 112.466 174.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -50.58 -48.21 57.71 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.243 0.474 . . . . 106.89 111.621 169.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -60.89 -33.71 73.53 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.13 0.789 . . . . 138.36 113.13 -177.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -77.61 -4.62 46.85 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.766 1.024 . . . . 102.38 113.766 175.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LEU . . . . . 0.469 ' O ' ' C ' ' A' ' 54' ' ' LYS . 57.8 mt -111.48 18.34 19.23 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 122.347 0.259 . . . . 102.29 111.679 172.439 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 53' ' ' LEU . 22.1 mtmm . . . . . 0 N--CA 1.451 -0.387 0 CA-C-O 121.574 0.702 . . . . 138.76 110.678 176.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.494 1.738 0 N-CA-C 113.375 0.88 . . . . 109.57 113.375 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 37.5 m -81.03 -34.94 32.47 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.869 0.366 . . . . 159.02 110.631 170.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.32 -41.75 84.76 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.887 0.375 . . . . 97.28 110.809 177.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 79.8 mt -65.15 -54.3 31.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.964 -0.562 . . . . 89.75 112.01 -177.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -50.78 -34.98 29.55 Favored 'General case' 0 C--O 1.213 -0.866 0 C-N-CA 121.263 -0.175 . . . . 134.08 111.33 177.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -73.91 -43.27 58.94 Favored 'General case' 0 N--CA 1.445 -0.708 0 O-C-N 123.513 0.508 . . . . 103.21 112.208 179.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.0 mt -64.4 -36.98 85.92 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.193 -0.603 . . . . 55.88 109.874 176.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -56.13 -46.74 79.1 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 112.476 0.547 . . . . 71.51 112.476 173.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -54.85 -55.13 33.67 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 108.843 -0.799 . . . . 94.91 108.843 175.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -51.95 -47.55 64.72 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 114.94 -1.027 . . . . 51.92 111.874 -179.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.34 -50.36 62.89 Favored Glycine 0 N--CA 1.472 1.058 0 CA-C-O 121.541 0.523 . . . . 35.81 112.059 174.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -65.14 -36.63 84.86 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.418 0.895 . . . . 79.17 113.418 -178.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.7 p -69.64 -35.81 75.53 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 120.359 -0.537 . . . . 74.81 111.622 178.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 mt -61.21 -50.68 72.11 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.248 -0.581 . . . . 70.52 111.289 170.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -54.45 -36.55 64.19 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.828 -0.349 . . . . 116.75 111.886 177.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -73.94 -40.66 62.9 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 112.012 0.375 . . . . 73.19 112.012 -179.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -69.69 -35.89 75.48 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.187 0.81 . . . . 76.97 113.187 -179.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.39 -44.81 77.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.023 -0.535 . . . . 60.86 111.169 178.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -60.12 -45.42 93.06 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 120.882 -0.327 . . . . 112.72 110.226 173.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -48.94 -54.26 16.27 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.78 -0.452 . . . . 84.13 109.78 175.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 50.9 tp -59.37 -46.78 87.71 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.636 0.606 . . . . 49.3 112.636 -177.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.64 -43.62 91.61 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 CA-C-N 116.457 -0.338 . . . . 53.0 110.432 -179.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 63.2 m -57.57 -46.24 84.23 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.28 -0.418 . . . . 78.55 111.056 176.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 46.5 mtt180 -61.66 -46.04 91.46 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.147 0.425 . . . . 101.72 112.147 -179.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 39.2 mt -59.84 -53.74 44.28 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 CA-C-O 119.329 -0.367 . . . . 56.79 110.756 -179.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -46.55 -39.7 11.43 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 123.551 0.532 . . . . 94.1 111.608 178.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 53' ' ' LEU . 9.8 mt-30 -69.07 -41.09 78.04 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 123.557 0.536 . . . . 118.07 111.499 177.393 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 17.1 m -66.83 -30.56 70.78 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 112.651 0.612 . . . . 75.47 112.651 176.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.88 -56.0 10.75 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.205 -1.035 . . . . 107.19 108.205 -179.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 63.6 tp -56.19 -48.88 75.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.423 -1.262 . . . . 72.47 112.56 179.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -60.19 -34.13 73.19 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.995 0.739 . . . . 64.63 112.995 179.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.99 -38.93 52.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.966 -0.459 . . . . 51.56 111.433 -179.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -61.48 -26.12 67.7 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 123.534 0.521 . . . . 103.95 112.046 174.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 45.7 mtp -74.61 -43.04 57.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.691 0.758 . . . . 76.58 112.825 170.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 31.4 ttp-105 -61.13 -41.32 96.5 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.88 -0.785 . . . . 129.98 108.88 -179.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' GLU . . . . . 1.055 ' CG ' ' O ' ' B' ' 102' ' ' HOH . 2.0 tt0 -63.86 -41.16 97.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 67.56 110.68 178.729 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 30.4 t90 -63.48 -41.36 98.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.099 -0.5 . . . . 78.44 111.839 -179.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -68.43 -45.0 73.74 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.18 -0.464 . . . . 59.85 111.971 179.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 27.2 t -59.55 -51.33 70.31 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.487 -0.779 . . . . 61.86 111.737 176.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -49.34 -54.39 17.4 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.717 1.207 . . . . 94.0 112.243 176.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 55.1 m -61.07 -39.69 90.82 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 116.246 -0.433 . . . . 67.12 110.871 177.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -67.13 -33.88 76.38 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.598 0.592 . . . . 61.63 112.598 178.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -67.33 -39.07 85.8 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 120.397 -0.521 . . . . 105.71 112.138 178.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -71.72 -25.32 62.03 Favored 'General case' 0 C--O 1.214 -0.813 0 N-CA-C 112.899 0.703 . . . . 102.9 112.899 178.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.2 t -67.0 -47.08 83.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.504 0.669 . . . . 73.48 112.326 171.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -51.83 -48.41 63.93 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.814 0.816 . . . . 91.51 111.126 174.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -60.45 -33.93 73.26 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.134 -0.939 . . . . 110.19 112.89 -176.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -74.92 -12.11 60.28 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 112.919 0.711 . . . . 74.85 112.919 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 73.0 mt -109.54 2.93 20.72 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 112.384 0.513 . . . . 83.46 112.384 178.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 45.5 mttt . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 116.325 1.972 . . . . 114.12 116.325 167.655 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . 1.055 ' O ' ' CG ' ' B' ' 40' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ASP . . . . . 0.815 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 32.7 t70 . . . . . 0 CA--C 1.537 0.457 0 N-CA-C 113.83 1.048 . . . . 111.15 113.83 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . 0.815 ' HA ' ' HB3' ' A' ' 3' ' ' ASP . 11.4 p -101.02 12.63 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.419 -0.585 . . . . 106.9 109.419 -40.921 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.4 m -51.01 -22.76 2.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.702 -0.681 . . . . 146.78 111.041 -175.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -65.64 -39.74 91.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 97.29 111.109 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.06 -52.51 63.65 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.326 -0.62 . . . . 78.04 109.326 179.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.3 mt -55.44 -42.5 74.29 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.971 -0.559 . . . . 86.63 110.794 179.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -56.31 -37.51 70.02 Favored 'General case' 0 CA--C 1.511 -0.54 0 C-N-CA 121.283 -0.167 . . . . 118.94 110.96 176.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -77.55 -39.11 47.06 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.264 -0.974 . . . . 199.03 112.671 -179.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 11' ' ' LEU . 5.5 mt -57.94 -41.08 82.03 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 120.377 -0.529 . . . . 68.05 112.056 170.568 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -55.15 -47.53 74.99 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.689 0.625 . . . . 95.4 112.689 174.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -52.79 -56.23 17.18 Favored 'General case' 0 CA--C 1.527 0.074 0 N-CA-C 108.399 -0.963 . . . . 114.25 108.399 175.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -54.23 -48.43 71.1 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.165 -0.925 . . . . 58.4 111.235 -175.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.72 -48.31 72.48 Favored Glycine 0 N--CA 1.462 0.382 0 N-CA-C 112.224 -0.35 . . . . 63.36 112.224 175.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -63.29 -36.19 82.87 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 112.991 0.738 . . . . 81.15 112.991 177.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.7 m -66.52 -40.02 88.94 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.927 0.344 . . . . 50.51 111.927 177.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 mt -57.82 -53.16 61.35 Favored 'General case' 0 CA--C 1.51 -0.578 0 O-C-N 122.919 0.137 . . . . 48.64 110.728 170.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 -54.1 -38.45 65.37 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.887 -0.325 . . . . 113.61 111.868 -179.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -74.42 -40.59 61.88 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.816 0.341 . . . . 102.02 111.722 -178.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -73.33 -33.65 65.24 Favored 'General case' 0 C--O 1.217 -0.628 0 C-N-CA 120.405 -0.518 . . . . 124.03 112.068 -176.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.07 -43.46 74.55 Favored 'General case' 0 C--N 1.316 -0.864 0 O-C-N 122.264 -0.273 . . . . 49.34 110.86 177.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -60.03 -44.96 94.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.901 0.381 . . . . 141.44 110.474 172.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -48.69 -53.79 17.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.333 0.587 . . . . 124.78 109.713 173.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.9 tp -60.86 -45.37 94.79 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.536 0.569 . . . . 53.62 112.536 -176.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.34 -44.21 91.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 CA-C-N 116.512 -0.313 . . . . 63.95 110.338 179.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.8 m -56.99 -45.75 82.73 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.919 -0.582 . . . . 87.27 111.181 176.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 89.9 mtt-85 -62.6 -45.11 94.41 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.923 0.342 . . . . 159.82 111.923 -179.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.1 mt -59.89 -53.64 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 116.703 -0.226 . . . . 65.74 111.186 179.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -46.19 -39.0 9.04 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.227 0.454 . . . . 84.95 112.227 177.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -70.72 -39.44 73.4 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.456 -0.338 . . . . 69.84 111.258 177.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.4 m -67.45 -29.69 69.22 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.686 -0.634 . . . . 56.54 112.519 174.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -66.97 -56.41 10.31 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 107.688 -1.227 . . . . 96.23 107.688 178.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.7 tp -53.47 -50.88 64.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.312 -0.858 . . . . 58.45 113.12 178.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.0 t -58.8 -36.61 74.75 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.903 0.705 . . . . 52.21 112.903 179.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.87 -39.4 35.27 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 120.824 -0.35 . . . . 56.5 110.988 -176.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -64.05 -24.52 67.73 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 123.198 0.311 . . . . 96.29 111.222 176.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.8 mtp -74.66 -47.84 29.58 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 113.2 0.815 . . . . 80.76 113.2 170.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -52.21 -41.34 62.62 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.267 0.469 . . . . 123.13 112.267 173.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -59.84 -52.62 64.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 122.03 0.919 . . . . 105.3 109.986 175.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 20.1 t90 -64.17 -34.27 77.7 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 115.099 -0.955 . . . . 80.12 113.202 -175.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -71.45 -44.41 64.85 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.368 0.531 . . . . 54.32 110.669 179.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.7 t -60.86 -50.97 71.28 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.976 -0.556 . . . . 73.45 110.672 177.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -48.22 -54.93 11.84 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.007 -0.997 . . . . 111.05 112.592 175.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.1 m -60.2 -39.59 87.08 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 122.757 0.423 . . . . 66.42 111.013 177.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -67.35 -34.41 77.25 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 112.035 0.383 . . . . 87.16 112.035 179.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -67.69 -39.33 84.43 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.281 -0.568 . . . . 101.3 111.798 179.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -71.78 -26.06 62.28 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 119.903 -0.719 . . . . 94.62 112.551 179.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' VAL . . . . . 0.58 HG11 ' HE1' ' B' ' 38' ' ' MET . 97.8 t -73.37 -38.37 53.29 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.639 0 C-N-CA 119.424 -0.91 . . . . 64.04 112.466 174.923 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -50.58 -48.21 57.71 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.243 0.474 . . . . 106.89 111.621 169.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -60.89 -33.71 73.53 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.13 0.789 . . . . 138.36 113.13 -177.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -77.61 -4.62 46.85 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.766 1.024 . . . . 102.38 113.766 175.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LEU . . . . . 0.469 ' O ' ' C ' ' A' ' 54' ' ' LYS . 57.8 mt -111.48 18.34 19.23 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 122.347 0.259 . . . . 102.29 111.679 172.439 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 53' ' ' LEU . 22.1 mtmm . . . . . 0 N--CA 1.451 -0.387 0 CA-C-O 121.574 0.702 . . . . 138.76 110.678 176.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.494 1.738 0 N-CA-C 113.375 0.88 . . . . 109.57 113.375 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 37.5 m -81.03 -34.94 32.47 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.869 0.366 . . . . 159.02 110.631 170.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' B' ' 106' ' ' HOH . . . -67.32 -41.75 84.76 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.887 0.375 . . . . 97.28 110.809 177.461 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 79.8 mt -65.15 -54.3 31.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.964 -0.562 . . . . 89.75 112.01 -177.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -50.78 -34.98 29.55 Favored 'General case' 0 C--O 1.213 -0.866 0 C-N-CA 121.263 -0.175 . . . . 134.08 111.33 177.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -73.91 -43.27 58.94 Favored 'General case' 0 N--CA 1.445 -0.708 0 O-C-N 123.513 0.508 . . . . 103.21 112.208 179.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.0 mt -64.4 -36.98 85.92 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.193 -0.603 . . . . 55.88 109.874 176.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -56.13 -46.74 79.1 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 112.476 0.547 . . . . 71.51 112.476 173.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -54.85 -55.13 33.67 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 108.843 -0.799 . . . . 94.91 108.843 175.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -51.95 -47.55 64.72 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 114.94 -1.027 . . . . 51.92 111.874 -179.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.34 -50.36 62.89 Favored Glycine 0 N--CA 1.472 1.058 0 CA-C-O 121.541 0.523 . . . . 35.81 112.059 174.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -65.14 -36.63 84.86 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.418 0.895 . . . . 79.17 113.418 -178.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.7 p -69.64 -35.81 75.53 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 120.359 -0.537 . . . . 74.81 111.622 178.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 mt -61.21 -50.68 72.11 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.248 -0.581 . . . . 70.52 111.289 170.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -54.45 -36.55 64.19 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.828 -0.349 . . . . 116.75 111.886 177.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -73.94 -40.66 62.9 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 112.012 0.375 . . . . 73.19 112.012 -179.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -69.69 -35.89 75.48 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.187 0.81 . . . . 76.97 113.187 -179.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.39 -44.81 77.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.023 -0.535 . . . . 60.86 111.169 178.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -60.12 -45.42 93.06 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 120.882 -0.327 . . . . 112.72 110.226 173.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -48.94 -54.26 16.27 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.78 -0.452 . . . . 84.13 109.78 175.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 50.9 tp -59.37 -46.78 87.71 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.636 0.606 . . . . 49.3 112.636 -177.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.64 -43.62 91.61 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 CA-C-N 116.457 -0.338 . . . . 53.0 110.432 -179.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 63.2 m -57.57 -46.24 84.23 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.28 -0.418 . . . . 78.55 111.056 176.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 46.5 mtt180 -61.66 -46.04 91.46 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.147 0.425 . . . . 101.72 112.147 -179.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 39.2 mt -59.84 -53.74 44.28 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 CA-C-O 119.329 -0.367 . . . . 56.79 110.756 -179.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -46.55 -39.7 11.43 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 123.551 0.532 . . . . 94.1 111.608 178.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -69.07 -41.09 78.04 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 123.557 0.536 . . . . 118.07 111.499 177.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 17.1 m -66.83 -30.56 70.78 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 112.651 0.612 . . . . 75.47 112.651 176.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.88 -56.0 10.75 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.205 -1.035 . . . . 107.19 108.205 -179.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 63.6 tp -56.19 -48.88 75.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.423 -1.262 . . . . 72.47 112.56 179.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -60.19 -34.13 73.19 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.995 0.739 . . . . 64.63 112.995 179.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.99 -38.93 52.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.966 -0.459 . . . . 51.56 111.433 -179.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -61.48 -26.12 67.7 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 123.534 0.521 . . . . 103.95 112.046 174.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' MET . . . . . 0.58 ' HE1' HG11 ' A' ' 49' ' ' VAL . 45.7 mtp -74.61 -43.04 57.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.691 0.758 . . . . 76.58 112.825 170.829 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 31.4 ttp-105 -61.13 -41.32 96.5 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.88 -0.785 . . . . 129.98 108.88 -179.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' GLU . . . . . 1.34 ' HG3' ' O ' ' B' ' 102' ' ' HOH . 2.0 tt0 -63.86 -41.16 97.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 67.56 110.68 178.729 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 30.4 t90 -63.48 -41.36 98.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.099 -0.5 . . . . 78.44 111.839 -179.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -68.43 -45.0 73.74 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.18 -0.464 . . . . 59.85 111.971 179.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 27.2 t -59.55 -51.33 70.31 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.487 -0.779 . . . . 61.86 111.737 176.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -49.34 -54.39 17.4 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.717 1.207 . . . . 94.0 112.243 176.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 55.1 m -61.07 -39.69 90.82 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 116.246 -0.433 . . . . 67.12 110.871 177.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -67.13 -33.88 76.38 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.598 0.592 . . . . 61.63 112.598 178.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -67.33 -39.07 85.8 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 120.397 -0.521 . . . . 105.71 112.138 178.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -71.72 -25.32 62.03 Favored 'General case' 0 C--O 1.214 -0.813 0 N-CA-C 112.899 0.703 . . . . 102.9 112.899 178.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.2 t -67.0 -47.08 83.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.504 0.669 . . . . 73.48 112.326 171.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -51.83 -48.41 63.93 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.814 0.816 . . . . 91.51 111.126 174.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -60.45 -33.93 73.26 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.134 -0.939 . . . . 110.19 112.89 -176.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -74.92 -12.11 60.28 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 112.919 0.711 . . . . 74.85 112.919 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 73.0 mt -109.54 2.93 20.72 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 112.384 0.513 . . . . 83.46 112.384 178.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 45.5 mttt . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 116.325 1.972 . . . . 114.12 116.325 167.655 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . 1.34 ' O ' ' HG3' ' B' ' 40' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . 0.715 ' O ' ' HB2' ' B' ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.815 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 32.7 t70 . . . . . 0 CA--C 1.537 0.457 0 N-CA-C 113.83 1.048 . . . . 111.15 113.83 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.815 ' HA ' ' HB3' ' A' ' 3' ' ' ASP . 11.4 p -101.02 12.63 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.419 -0.585 . . . . 106.9 109.419 -40.921 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.4 m -51.01 -22.76 2.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.702 -0.681 . . . . 146.78 111.041 -175.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -65.64 -39.74 91.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 97.29 111.109 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.06 -52.51 63.65 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.326 -0.62 . . . . 78.04 109.326 179.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.3 mt -55.44 -42.5 74.29 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.971 -0.559 . . . . 86.63 110.794 179.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -56.31 -37.51 70.02 Favored 'General case' 0 CA--C 1.511 -0.54 0 C-N-CA 121.283 -0.167 . . . . 118.94 110.96 176.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -77.55 -39.11 47.06 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.264 -0.974 . . . . 199.03 112.671 -179.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 11' ' ' LEU . 5.5 mt -57.94 -41.08 82.03 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 120.377 -0.529 . . . . 68.05 112.056 170.568 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -55.15 -47.53 74.99 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.689 0.625 . . . . 95.4 112.689 174.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -52.79 -56.23 17.18 Favored 'General case' 0 CA--C 1.527 0.074 0 N-CA-C 108.399 -0.963 . . . . 114.25 108.399 175.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -54.23 -48.43 71.1 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.165 -0.925 . . . . 58.4 111.235 -175.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.72 -48.31 72.48 Favored Glycine 0 N--CA 1.462 0.382 0 N-CA-C 112.224 -0.35 . . . . 63.36 112.224 175.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -63.29 -36.19 82.87 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 112.991 0.738 . . . . 81.15 112.991 177.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.7 m -66.52 -40.02 88.94 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.927 0.344 . . . . 50.51 111.927 177.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 mt -57.82 -53.16 61.35 Favored 'General case' 0 CA--C 1.51 -0.578 0 O-C-N 122.919 0.137 . . . . 48.64 110.728 170.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 -54.1 -38.45 65.37 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.887 -0.325 . . . . 113.61 111.868 -179.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -74.42 -40.59 61.88 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.816 0.341 . . . . 102.02 111.722 -178.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -73.33 -33.65 65.24 Favored 'General case' 0 C--O 1.217 -0.628 0 C-N-CA 120.405 -0.518 . . . . 124.03 112.068 -176.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.07 -43.46 74.55 Favored 'General case' 0 C--N 1.316 -0.864 0 O-C-N 122.264 -0.273 . . . . 49.34 110.86 177.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -60.03 -44.96 94.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.901 0.381 . . . . 141.44 110.474 172.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -48.69 -53.79 17.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.333 0.587 . . . . 124.78 109.713 173.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.9 tp -60.86 -45.37 94.79 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.536 0.569 . . . . 53.62 112.536 -176.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.34 -44.21 91.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 CA-C-N 116.512 -0.313 . . . . 63.95 110.338 179.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.8 m -56.99 -45.75 82.73 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.919 -0.582 . . . . 87.27 111.181 176.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 89.9 mtt-85 -62.6 -45.11 94.41 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.923 0.342 . . . . 159.82 111.923 -179.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.1 mt -59.89 -53.64 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 116.703 -0.226 . . . . 65.74 111.186 179.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -46.19 -39.0 9.04 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.227 0.454 . . . . 84.95 112.227 177.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -70.72 -39.44 73.4 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.456 -0.338 . . . . 69.84 111.258 177.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.4 m -67.45 -29.69 69.22 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.686 -0.634 . . . . 56.54 112.519 174.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -66.97 -56.41 10.31 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 107.688 -1.227 . . . . 96.23 107.688 178.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.7 tp -53.47 -50.88 64.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.312 -0.858 . . . . 58.45 113.12 178.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.0 t -58.8 -36.61 74.75 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.903 0.705 . . . . 52.21 112.903 179.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.87 -39.4 35.27 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 120.824 -0.35 . . . . 56.5 110.988 -176.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -64.05 -24.52 67.73 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 123.198 0.311 . . . . 96.29 111.222 176.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.8 mtp -74.66 -47.84 29.58 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 113.2 0.815 . . . . 80.76 113.2 170.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -52.21 -41.34 62.62 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.267 0.469 . . . . 123.13 112.267 173.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -59.84 -52.62 64.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 122.03 0.919 . . . . 105.3 109.986 175.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 20.1 t90 -64.17 -34.27 77.7 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 115.099 -0.955 . . . . 80.12 113.202 -175.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -71.45 -44.41 64.85 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.368 0.531 . . . . 54.32 110.669 179.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.7 t -60.86 -50.97 71.28 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.976 -0.556 . . . . 73.45 110.672 177.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -48.22 -54.93 11.84 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.007 -0.997 . . . . 111.05 112.592 175.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.1 m -60.2 -39.59 87.08 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 122.757 0.423 . . . . 66.42 111.013 177.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -67.35 -34.41 77.25 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 112.035 0.383 . . . . 87.16 112.035 179.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -67.69 -39.33 84.43 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.281 -0.568 . . . . 101.3 111.798 179.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -71.78 -26.06 62.28 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 119.903 -0.719 . . . . 94.62 112.551 179.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.58 HG11 ' HE1' ' B' ' 38' ' ' MET . 97.8 t -73.37 -38.37 53.29 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.639 0 C-N-CA 119.424 -0.91 . . . . 64.04 112.466 174.923 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -50.58 -48.21 57.71 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.243 0.474 . . . . 106.89 111.621 169.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -60.89 -33.71 73.53 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.13 0.789 . . . . 138.36 113.13 -177.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -77.61 -4.62 46.85 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.766 1.024 . . . . 102.38 113.766 175.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.469 ' O ' ' C ' ' A' ' 54' ' ' LYS . 57.8 mt -111.48 18.34 19.23 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 122.347 0.259 . . . . 102.29 111.679 172.439 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 53' ' ' LEU . 22.1 mtmm . . . . . 0 N--CA 1.451 -0.387 0 CA-C-O 121.574 0.702 . . . . 138.76 110.678 176.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.494 1.738 0 N-CA-C 113.375 0.88 . . . . 109.57 113.375 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 37.5 m -81.03 -34.94 32.47 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.869 0.366 . . . . 159.02 110.631 170.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' B' ' 106' ' ' HOH . . . -67.32 -41.75 84.76 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.887 0.375 . . . . 97.28 110.809 177.461 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 79.8 mt -65.15 -54.3 31.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.964 -0.562 . . . . 89.75 112.01 -177.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -50.78 -34.98 29.55 Favored 'General case' 0 C--O 1.213 -0.866 0 C-N-CA 121.263 -0.175 . . . . 134.08 111.33 177.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -73.91 -43.27 58.94 Favored 'General case' 0 N--CA 1.445 -0.708 0 O-C-N 123.513 0.508 . . . . 103.21 112.208 179.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.0 mt -64.4 -36.98 85.92 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.193 -0.603 . . . . 55.88 109.874 176.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -56.13 -46.74 79.1 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 112.476 0.547 . . . . 71.51 112.476 173.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -54.85 -55.13 33.67 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 108.843 -0.799 . . . . 94.91 108.843 175.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -51.95 -47.55 64.72 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 114.94 -1.027 . . . . 51.92 111.874 -179.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.34 -50.36 62.89 Favored Glycine 0 N--CA 1.472 1.058 0 CA-C-O 121.541 0.523 . . . . 35.81 112.059 174.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -65.14 -36.63 84.86 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.418 0.895 . . . . 79.17 113.418 -178.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.7 p -69.64 -35.81 75.53 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 120.359 -0.537 . . . . 74.81 111.622 178.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 mt -61.21 -50.68 72.11 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.248 -0.581 . . . . 70.52 111.289 170.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -54.45 -36.55 64.19 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.828 -0.349 . . . . 116.75 111.886 177.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -73.94 -40.66 62.9 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 112.012 0.375 . . . . 73.19 112.012 -179.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -69.69 -35.89 75.48 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.187 0.81 . . . . 76.97 113.187 -179.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.39 -44.81 77.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.023 -0.535 . . . . 60.86 111.169 178.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -60.12 -45.42 93.06 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 120.882 -0.327 . . . . 112.72 110.226 173.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -48.94 -54.26 16.27 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.78 -0.452 . . . . 84.13 109.78 175.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 50.9 tp -59.37 -46.78 87.71 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.636 0.606 . . . . 49.3 112.636 -177.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.64 -43.62 91.61 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 CA-C-N 116.457 -0.338 . . . . 53.0 110.432 -179.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 63.2 m -57.57 -46.24 84.23 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.28 -0.418 . . . . 78.55 111.056 176.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 46.5 mtt180 -61.66 -46.04 91.46 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.147 0.425 . . . . 101.72 112.147 -179.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 39.2 mt -59.84 -53.74 44.28 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 CA-C-O 119.329 -0.367 . . . . 56.79 110.756 -179.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -46.55 -39.7 11.43 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 123.551 0.532 . . . . 94.1 111.608 178.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 53' ' ' LEU . 9.8 mt-30 -69.07 -41.09 78.04 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 123.557 0.536 . . . . 118.07 111.499 177.393 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 17.1 m -66.83 -30.56 70.78 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 112.651 0.612 . . . . 75.47 112.651 176.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.88 -56.0 10.75 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.205 -1.035 . . . . 107.19 108.205 -179.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 63.6 tp -56.19 -48.88 75.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.423 -1.262 . . . . 72.47 112.56 179.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -60.19 -34.13 73.19 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.995 0.739 . . . . 64.63 112.995 179.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.99 -38.93 52.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.966 -0.459 . . . . 51.56 111.433 -179.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -61.48 -26.12 67.7 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 123.534 0.521 . . . . 103.95 112.046 174.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' MET . . . . . 0.58 ' HE1' HG11 ' A' ' 49' ' ' VAL . 45.7 mtp -74.61 -43.04 57.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.691 0.758 . . . . 76.58 112.825 170.829 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 31.4 ttp-105 -61.13 -41.32 96.5 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.88 -0.785 . . . . 129.98 108.88 -179.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' GLU . . . . . 1.34 ' HG3' ' O ' ' B' ' 102' ' ' HOH . 2.0 tt0 -63.86 -41.16 97.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 67.56 110.68 178.729 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 30.4 t90 -63.48 -41.36 98.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.099 -0.5 . . . . 78.44 111.839 -179.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -68.43 -45.0 73.74 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.18 -0.464 . . . . 59.85 111.971 179.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 27.2 t -59.55 -51.33 70.31 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.487 -0.779 . . . . 61.86 111.737 176.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -49.34 -54.39 17.4 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.717 1.207 . . . . 94.0 112.243 176.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 55.1 m -61.07 -39.69 90.82 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 116.246 -0.433 . . . . 67.12 110.871 177.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -67.13 -33.88 76.38 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.598 0.592 . . . . 61.63 112.598 178.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -67.33 -39.07 85.8 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 120.397 -0.521 . . . . 105.71 112.138 178.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -71.72 -25.32 62.03 Favored 'General case' 0 C--O 1.214 -0.813 0 N-CA-C 112.899 0.703 . . . . 102.9 112.899 178.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.2 t -67.0 -47.08 83.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.504 0.669 . . . . 73.48 112.326 171.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -51.83 -48.41 63.93 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.814 0.816 . . . . 91.51 111.126 174.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -60.45 -33.93 73.26 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.134 -0.939 . . . . 110.19 112.89 -176.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -74.92 -12.11 60.28 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 112.919 0.711 . . . . 74.85 112.919 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 73.0 mt -109.54 2.93 20.72 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 112.384 0.513 . . . . 83.46 112.384 178.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 45.5 mttt . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 116.325 1.972 . . . . 114.12 116.325 167.655 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . 1.34 ' O ' ' HG3' ' B' ' 40' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . 0.715 ' O ' ' HB2' ' B' ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_